Mg14MnNi

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028195 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14MnNi

MP-ID

mp-1028195

Elements

Sites

Density

2.2683

g/cm³

Volume

332.28

Å³

Cell a

6.2507

Cell b

6.2439

Cell c

9.8273

α Angle

90.00

β Angle

90.00

γ Angle

119.96

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
9.00	9.8273	34.1	(0,0,0,1)
16.37	5.4153	8.1	(1,0,-1,0)
18.05	4.9136	5.3	(0,0,0,2)
18.71	4.7428	10.2	(1,0,-1,1)
24.46	3.6389	3.5	(1,0,-1,2)
28.59	3.1219	1.6	(1,-2,1,0)
30.03	2.9754	2.1	(1,-2,1,1)
31.93	2.8029	1.8	(1,0,-1,3)
33.08	2.7076	13.3	(2,0,-2,0)
33.12	2.7047	26.0	(2,-2,0,0)
34.02	2.6351	1.8	(1,-2,1,2)
34.35	2.6104	1.5	(2,0,-2,1)
34.39	2.6077	3.0	(2,-2,0,1)
36.58	2.4568	35.2	(0,0,0,4)
37.94	2.3714	49.4	(2,0,-2,2)
37.98	2.3694	100.0	(2,-2,0,2)
39.89	2.2600	2.3	(1,-2,1,3)
40.31	2.2373	1.4	(1,0,-1,4)
43.36	2.0870	2.1	(2,0,-2,3)
43.39	2.0856	4.2	(2,-2,0,3)
45.28	2.0026	1.0	(3,-2,-1,1)
45.28	2.0026	1.0	(1,2,-3,1)
46.19	1.9655	1.8	(0,0,0,5)
48.19	1.8884	1.2	(3,-2,-1,2)

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Energy Properties

Formation Energy/atom

0.09231

eV/atom

Energy/atom

-2.26824

eV/atom

Energy above Hull

0.1210

eV/atom

Uncorrected Energy

-2.2682

eV/atom

Volume/atom

20.77

Å³

c/a Ratio

1.5722

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.3943

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010220

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

0.782

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmzz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028195

Reference Citation

The crystal structure and related material properties of Mg14MnNi were obtained from the Materials Project database (MP-ID: mp-1028195, 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_Mg14MnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25070668
_cell_length_b   6.24384572
_cell_length_c   9.82728735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.96370240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnNi
_chemical_formula_sum   'Mg14 Mn1 Ni1'
_cell_volume   332.28007583
_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  0.17116333  0.33558117  0.62500000  1.0
  Mg  Mg1  1  0.17007625  0.83503762  0.62500000  1.0
  Mg  Mg2  1  0.67575040  0.33441621  0.12500000  1.0
  Mg  Mg3  1  0.66537295  0.33335659  0.62500000  1.0
  Mg  Mg4  1  0.67575040  0.84133319  0.12500000  1.0
  Mg  Mg5  1  0.66537295  0.83201535  0.62500000  1.0
  Mg  Mg6  1  0.32243607  0.15732711  0.35462713  1.0
  Mg  Mg7  1  0.32243607  0.15732711  0.89537287  1.0
  Mg  Mg8  1  0.32243607  0.66510996  0.35462713  1.0
  Mg  Mg9  1  0.32243607  0.66510996  0.89537287  1.0
  Mg  Mg10  1  0.83905775  0.16952937  0.37276586  1.0
  Mg  Mg11  1  0.83905775  0.16952937  0.87723414  1.0
  Mg  Mg12  1  0.84404129  0.67202115  0.36486543  1.0
  Mg  Mg13  1  0.84404129  0.67202115  0.88513457  1.0
  Mn  Mn14  1  0.15699481  0.32849690  0.12500000  1.0
  Ni  Ni15  1  0.16357657  0.83178779  0.12500000  1.0

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