Mg14MnCr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028075 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14MnCr

MP-ID

mp-1028075

Elements

Sites

Density

2.1568

g/cm³

Volume

344.30

Å³

Cell a

6.2780

Cell b

6.2986

Cell c

10.0652

α Angle

90.00

β Angle

90.00

γ Angle

120.11

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
8.79	10.0652	21.8	(0,0,1)
16.32	5.4309	5.3	(1,0,0)
17.62	5.0326	3.8	(0,0,2)
18.56	4.7796	7.1	(1,0,1)
24.11	3.6914	2.9	(1,0,2)
28.34	3.1493	1.1	(1,-2,0)
29.72	3.0056	1.7	(1,-2,1)
31.34	2.8543	1.4	(1,0,3)
32.88	2.7244	24.7	(2,-2,0)
32.99	2.7155	12.9	(2,0,0)
33.57	2.6697	1.4	(1,-2,2)
34.09	2.6298	2.3	(2,-2,1)
34.20	2.6217	1.2	(2,0,1)
35.68	2.5163	37.7	(0,0,4)
37.54	2.3959	100.0	(2,-2,2)
37.64	2.3898	48.6	(2,0,2)
39.23	2.2962	1.3	(1,-2,3)
39.47	2.2832	1.0	(1,0,4)
42.76	2.1149	2.2	(2,-2,3)
42.84	2.1108	1.0	(2,0,3)
44.99	2.0149	1.2	(3,-2,1)
49.30	1.8485	14.8	(2,-2,4)
49.38	1.8457	7.7	(2,0,4)
58.63	1.5747	8.4	(2,-4,0)

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Energy Properties

Formation Energy/atom

0.15397

eV/atom

Energy/atom

-2.44864

eV/atom

Energy above Hull

0.1540

eV/atom

Uncorrected Energy

-2.4486

eV/atom

Volume/atom

21.52

Å³

c/a Ratio

1.6033

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.8080

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.022680

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

10.6036

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.894%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0995

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.377

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.760

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmvj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028075

Reference Citation

The crystal structure and related material properties of Mg14MnCr were obtained from the Materials Project database (MP-ID: mp-1028075, 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_Mg14MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27797649
_cell_length_b   6.29859568
_cell_length_c   10.06523417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.10871095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnCr
_chemical_formula_sum   'Mg14 Mn1 Cr1'
_cell_volume   344.30326621
_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  0.16807313  0.33403606  0.62500000  1.0
  Mg  Mg1  1  0.16798267  0.83399084  0.62500000  1.0
  Mg  Mg2  1  0.66549353  0.33308661  0.12500000  1.0
  Mg  Mg3  1  0.66559636  0.33301803  0.62500000  1.0
  Mg  Mg4  1  0.66549353  0.83240592  0.12500000  1.0
  Mg  Mg5  1  0.66559636  0.83257733  0.62500000  1.0
  Mg  Mg6  1  0.32740177  0.16438219  0.36514360  1.0
  Mg  Mg7  1  0.32740177  0.16438219  0.88485640  1.0
  Mg  Mg8  1  0.32740177  0.66302058  0.36514360  1.0
  Mg  Mg9  1  0.32740177  0.66302058  0.88485640  1.0
  Mg  Mg10  1  0.83818682  0.16909391  0.37209331  1.0
  Mg  Mg11  1  0.83818682  0.16909391  0.87790669  1.0
  Mg  Mg12  1  0.83777781  0.66888941  0.37202447  1.0
  Mg  Mg13  1  0.83777781  0.66888941  0.87797553  1.0
  Mn  Mn14  1  0.16897748  0.33448824  0.12500000  1.0
  Cr  Cr15  1  0.17125059  0.83562480  0.12500000  1.0

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