Mg14MnCu

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028141 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14MnCu

MP-ID

mp-1028141

Elements

Sites

Density

2.2584

g/cm³

Volume

337.32

Å³

Cell a

6.2594

Cell b

6.2594

Cell c

9.9412

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
16.35	5.4208	14.7	(1,0,-1,0)
16.35	5.4208	7.3	(0,1,-1,0)
17.84	4.9706	5.1	(0,0,0,2)
24.29	3.6636	12.6	(1,0,-1,2)
28.52	3.1297	5.1	(2,-1,-1,0)
33.05	2.7104	38.8	(2,0,-2,0)
33.85	2.6485	6.2	(2,-1,-1,2)
36.14	2.4853	37.7	(0,0,0,4)
37.81	2.3796	100.0	(2,0,-2,2)
37.81	2.3796	50.0	(0,2,-2,2)
39.90	2.2592	4.6	(1,0,-1,4)
44.20	2.0489	1.3	(2,1,-3,0)
46.67	1.9463	1.6	(1,1,-2,4)
48.03	1.8943	6.0	(3,-1,-2,2)
49.78	1.8318	23.2	(2,0,-2,4)
54.00	1.6982	1.6	(3,0,-3,2)
58.37	1.5809	1.1	(2,1,-3,4)
59.03	1.5649	25.1	(4,-2,-2,0)
61.70	1.5035	1.1	(4,-1,-3,0)
66.10	1.4137	26.4	(2,0,-2,6)
69.34	1.3552	2.6	(4,0,-4,0)
69.34	1.3552	1.3	(0,4,-4,0)
71.21	1.3242	9.1	(4,-2,-2,4)
71.21	1.3242	18.2	(2,2,-4,4)

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Energy Properties

Formation Energy/atom

0.09359

eV/atom

Energy/atom

-2.16189

eV/atom

Energy above Hull

0.1121

eV/atom

Uncorrected Energy

-2.1619

eV/atom

Volume/atom

21.08

Å³

c/a Ratio

1.5882

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9507

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011710

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

7.6088

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.894%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1506

smaller = more stable mixing

VEC

2.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.788

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmxx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028141

Reference Citation

The crystal structure and related material properties of Mg14MnCu were obtained from the Materials Project database (MP-ID: mp-1028141, 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_Mg14MnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25944036
_cell_length_b   6.25943987
_cell_length_c   9.94114868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000259
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnCu
_chemical_formula_sum   'Mg14 Mn1 Cu1'
_cell_volume   337.31695188
_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  0.16839511  0.83419705  0.12500000  1.0
  Mg  Mg1  1  0.16552965  0.83276432  0.62500000  1.0
  Mg  Mg2  1  0.66580295  0.33160489  0.12500000  1.0
  Mg  Mg3  1  0.66723568  0.33447035  0.62500000  1.0
  Mg  Mg4  1  0.66580295  0.83419705  0.12500000  1.0
  Mg  Mg5  1  0.66723568  0.83276432  0.62500000  1.0
  Mg  Mg6  1  0.32791560  0.17208440  0.37678155  1.0
  Mg  Mg7  1  0.32791560  0.17208440  0.87321845  1.0
  Mg  Mg8  1  0.32791560  0.65583221  0.37678155  1.0
  Mg  Mg9  1  0.32791560  0.65583221  0.87321845  1.0
  Mg  Mg10  1  0.84416779  0.17208440  0.37678155  1.0
  Mg  Mg11  1  0.84416779  0.17208440  0.87321845  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37457500  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87542500  1.0
  Mn  Mn14  1  0.16666700  0.33333300  0.12500000  1.0
  Cu  Cu15  1  0.16666700  0.33333300  0.62500000  1.0

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