Mg14MnCr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028055 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14MnCr

MP-ID

mp-1028055

Elements

Sites

Density

2.1453

g/cm³

Volume

346.15

Å³

Cell a

6.3139

Cell b

6.3139

Cell c

10.0263

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 23)

2θ	d (Å)	I	hkl
16.21	5.4680	10.3	(1,0,-1,0)
17.69	5.0131	2.4	(0,0,0,2)
24.08	3.6952	5.9	(1,0,-1,2)
28.27	3.1569	1.5	(1,1,-2,0)
32.76	2.7340	25.4	(2,0,-2,0)
33.55	2.6714	2.8	(2,-1,-1,2)
35.82	2.5066	25.2	(0,0,0,4)
37.47	2.4002	100.0	(2,0,-2,2)
39.55	2.2786	2.0	(1,0,-1,4)
46.25	1.9630	1.0	(2,-1,-1,4)
47.59	1.9107	2.6	(3,-1,-2,2)
49.32	1.8476	15.1	(2,0,-2,4)
58.47	1.5785	16.8	(4,-2,-2,0)
65.46	1.4258	17.6	(2,0,-2,6)
68.66	1.3670	2.6	(4,0,-4,0)
70.50	1.3357	6.1	(4,-2,-2,4)
70.50	1.3357	12.2	(2,2,-4,4)
71.54	1.3188	8.8	(4,0,-4,2)
71.54	1.3188	4.4	(0,4,-4,2)
75.92	1.2533	2.4	(0,0,0,8)
79.94	1.2001	2.2	(4,0,-4,4)
79.94	1.2001	1.1	(0,4,-4,4)
85.17	1.1393	2.7	(2,0,-2,8)

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Energy Properties

Formation Energy/atom

0.14815

eV/atom

Energy/atom

-2.45446

eV/atom

Energy above Hull

0.1482

eV/atom

Uncorrected Energy

-2.4545

eV/atom

Volume/atom

21.63

Å³

c/a Ratio

1.5880

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.4021

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.024270

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

0.764

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmup

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028055

Reference Citation

The crystal structure and related material properties of Mg14MnCr were obtained from the Materials Project database (MP-ID: mp-1028055, 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…

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Raw CIF Data

# generated using pymatgen
data_Mg14MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31386046
_cell_length_b   6.31385995
_cell_length_c   10.02625703
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnCr
_chemical_formula_sum   'Mg14 Mn1 Cr1'
_cell_volume   346.14604846
_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  0.16789800  0.83394850  0.12500000  1.0
  Mg  Mg1  1  0.16843073  0.83421486  0.62500000  1.0
  Mg  Mg2  1  0.66605150  0.33210200  0.12500000  1.0
  Mg  Mg3  1  0.66578514  0.33156927  0.62500000  1.0
  Mg  Mg4  1  0.66605150  0.83394850  0.12500000  1.0
  Mg  Mg5  1  0.66578514  0.83421486  0.62500000  1.0
  Mg  Mg6  1  0.32920395  0.17079605  0.37412090  1.0
  Mg  Mg7  1  0.32920395  0.17079605  0.87587910  1.0
  Mg  Mg8  1  0.32920395  0.65840890  0.37412090  1.0
  Mg  Mg9  1  0.32920395  0.65840890  0.87587910  1.0
  Mg  Mg10  1  0.84159110  0.17079605  0.37412090  1.0
  Mg  Mg11  1  0.84159110  0.17079605  0.87587910  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37434733  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87565267  1.0
  Mn  Mn14  1  0.16666700  0.33333300  0.12500000  1.0
  Cr  Cr15  1  0.16666700  0.33333300  0.62500000  1.0

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