Mg14MnCu

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1028157 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14MnCu

MP-ID

mp-1028157

Elements

Sites

Density

2.2636

g/cm³

Volume

336.53

Å³

Cell a

6.2592

Cell b

6.2586

Cell c

9.9195

α Angle

90.00

β Angle

90.00

γ Angle

120.00

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
8.91	9.9195	32.1	(0,0,0,1)
16.35	5.4208	7.8	(1,0,-1,0)
17.88	4.9598	5.4	(0,0,0,2)
18.65	4.7568	10.3	(1,0,-1,1)
24.32	3.6592	4.1	(1,0,-1,2)
28.52	3.1293	1.7	(1,-2,1,0)
29.94	2.9843	2.5	(1,-2,1,1)
31.70	2.8228	2.0	(1,0,-1,3)
33.05	2.7104	13.2	(2,0,-2,0)
33.05	2.7101	25.8	(2,-2,0,0)
33.87	2.6466	2.0	(1,-2,1,2)
34.30	2.6146	1.8	(2,0,-2,1)
34.30	2.6143	3.4	(2,-2,0,1)
36.22	2.4799	36.4	(0,0,0,4)
37.83	2.3784	49.5	(2,0,-2,2)
37.83	2.3783	100.0	(2,-2,0,2)
39.66	2.2728	2.1	(1,-2,1,3)
39.98	2.2551	1.5	(1,0,-1,4)
43.16	2.0962	1.8	(2,0,-2,3)
43.16	2.0960	3.8	(2,-2,0,3)
45.19	2.0064	2.0	(3,-2,-1,1)
45.73	1.9839	1.5	(0,0,0,5)
48.05	1.8936	1.1	(3,-2,-1,2)
48.05	1.8936	1.1	(1,2,-3,2)

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Energy Properties

Formation Energy/atom

0.09349

eV/atom

Energy/atom

-2.16200

eV/atom

Energy above Hull

0.1120

eV/atom

Uncorrected Energy

-2.1620

eV/atom

Volume/atom

21.03

Å³

c/a Ratio

1.5848

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9305

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011680

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

HEA

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

TRA

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)

aaacgmyn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028157

Reference Citation

The crystal structure and related material properties of Mg14MnCu were obtained from the Materials Project database (MP-ID: mp-1028157, 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_Mg14MnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25919308
_cell_length_b   6.25859688
_cell_length_c   9.91951243
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99685426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnCu
_chemical_formula_sum   'Mg14 Mn1 Cu1'
_cell_volume   336.53485517
_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  0.16960906  0.33480403  0.62500000  1.0
  Mg  Mg1  1  0.16859422  0.83429661  0.62500000  1.0
  Mg  Mg2  1  0.67064901  0.33167899  0.12500000  1.0
  Mg  Mg3  1  0.66493997  0.33291606  0.62500000  1.0
  Mg  Mg4  1  0.67064901  0.83896903  0.12500000  1.0
  Mg  Mg5  1  0.66493997  0.83202291  0.62500000  1.0
  Mg  Mg6  1  0.32560473  0.16190213  0.35982212  1.0
  Mg  Mg7  1  0.32560473  0.16190213  0.89017788  1.0
  Mg  Mg8  1  0.32560473  0.66370360  0.35982212  1.0
  Mg  Mg9  1  0.32560473  0.66370360  0.89017788  1.0
  Mg  Mg10  1  0.83931339  0.16965720  0.37206561  1.0
  Mg  Mg11  1  0.83931339  0.16965720  0.87793439  1.0
  Mg  Mg12  1  0.84017784  0.67008942  0.36790088  1.0
  Mg  Mg13  1  0.84017784  0.67008942  0.88209912  1.0
  Mn  Mn14  1  0.16025149  0.33012525  0.12500000  1.0
  Cu  Cu15  1  0.16896588  0.83448244  0.12500000  1.0

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