Mg14MnNi

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028161 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14MnNi

MP-ID

mp-1028161

Elements

Sites

Density

2.3426

g/cm³

Volume

321.74

Å³

Cell a

6.1861

Cell b

6.1861

Cell c

9.7082

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
16.55	5.3574	16.3	(1,0,-1,0)
18.28	4.8541	3.2	(0,0,0,2)
24.75	3.5972	6.5	(1,0,-1,2)
28.87	3.0931	3.3	(2,-1,-1,0)
33.45	2.6787	26.1	(2,0,-2,0)
34.38	2.6085	3.7	(2,-1,-1,2)
37.04	2.4270	24.7	(0,0,0,4)
38.38	2.3453	100.0	(2,0,-2,2)
40.82	2.2108	3.2	(1,0,-1,4)
47.63	1.9094	1.5	(2,-1,-1,4)
48.73	1.8688	1.6	(3,-1,-2,2)
48.73	1.8688	3.2	(2,1,-3,2)
50.76	1.7986	10.1	(2,0,-2,4)
50.76	1.7986	5.1	(0,2,-2,4)
54.77	1.6760	1.2	(3,0,-3,2)
59.80	1.5465	5.5	(4,-2,-2,0)
59.80	1.5465	11.0	(2,2,-4,0)
67.65	1.3850	17.1	(2,0,-2,6)
70.28	1.3393	2.6	(4,0,-4,0)
72.47	1.3043	5.9	(4,-2,-2,4)
72.47	1.3043	11.9	(2,2,-4,4)
73.33	1.2911	8.6	(4,0,-4,2)
73.33	1.2911	4.3	(0,4,-4,2)
75.16	1.2640	1.2	(3,-1,-2,6)

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Energy Properties

Formation Energy/atom

0.17716

eV/atom

Energy/atom

-2.18338

eV/atom

Energy above Hull

0.2059

eV/atom

Uncorrected Energy

-2.1834

eV/atom

Volume/atom

20.11

Å³

c/a Ratio

1.5693

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0043

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

2.0765

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.337%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1528

smaller = more stable mixing

VEC

2.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.875

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)

aaacgmyr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028161

Reference Citation

The crystal structure and related material properties of Mg14MnNi were obtained from the Materials Project database (MP-ID: mp-1028161, 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_Mg14MnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18613184
_cell_length_b   6.18613137
_cell_length_c   9.70817172
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000252
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnNi
_chemical_formula_sum   'Mg14 Mn1 Ni1'
_cell_volume   321.74097993
_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  0.16889122  0.83444511  0.12500000  1.0
  Mg  Mg1  1  0.16586753  0.83293327  0.62500000  1.0
  Mg  Mg2  1  0.66555489  0.33110878  0.12500000  1.0
  Mg  Mg3  1  0.66706673  0.33413247  0.62500000  1.0
  Mg  Mg4  1  0.66555489  0.83444511  0.12500000  1.0
  Mg  Mg5  1  0.66706673  0.83293327  0.62500000  1.0
  Mg  Mg6  1  0.32316565  0.17683435  0.37504610  1.0
  Mg  Mg7  1  0.32316565  0.17683435  0.87495390  1.0
  Mg  Mg8  1  0.32316565  0.64633230  0.37504610  1.0
  Mg  Mg9  1  0.32316565  0.64633230  0.87495390  1.0
  Mg  Mg10  1  0.85366770  0.17683435  0.37504610  1.0
  Mg  Mg11  1  0.85366770  0.17683435  0.87495390  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37326073  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87673927  1.0
  Mn  Mn14  1  0.16666700  0.33333300  0.12500000  1.0
  Ni  Ni15  1  0.16666700  0.33333300  0.62500000  1.0

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