KMg14Cu

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1027838 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

KMg14Cu

MP-ID

mp-1027838

Elements

Sites

Density

1.9549

g/cm³

Volume

376.22

Å³

Cell a

6.4534

Cell b

6.4286

Cell c

10.4580

α Angle

90.00

β Angle

90.00

γ Angle

119.87

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
8.45	10.4580	12.7	(0,0,1)
15.84	5.5960	4.1	(1,0,0)
15.90	5.5745	2.9	(1,-1,0)
16.96	5.2290	3.8	(0,0,2)
17.98	4.9340	6.0	(1,0,1)
18.03	4.9193	3.5	(1,-1,1)
23.28	3.8206	3.5	(1,0,2)
25.55	3.4860	2.2	(0,0,3)
27.75	3.2143	1.2	(1,-2,0)
29.06	3.0725	2.3	(1,-2,1)
30.21	2.9589	2.2	(1,0,3)
30.24	2.9557	1.0	(1,-1,3)
31.99	2.7980	12.2	(2,0,0)
32.11	2.7872	25.9	(2,-2,0)
32.70	2.7383	1.5	(1,-2,2)
33.14	2.7029	1.5	(2,0,1)
33.27	2.6932	3.0	(2,-2,1)
34.30	2.6145	39.2	(0,0,4)
36.42	2.4670	51.9	(2,0,2)
36.53	2.4596	100.0	(2,-2,2)
38.00	2.3680	1.7	(2,-1,3)
41.48	2.1769	1.1	(2,-2,3)
43.76	2.0687	1.1	(3,-2,1)
46.37	1.9583	1.1	(1,-1,5)

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Energy Properties

Formation Energy/atom

0.12869

eV/atom

Energy/atom

-4.57351

eV/atom

Energy above Hull

0.1451

eV/atom

Uncorrected Energy

-1.6030

eV/atom

Volume/atom

23.51

Å³

c/a Ratio

1.6205

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

1.6090

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.454%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1916

smaller = more stable mixing

VEC

2.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.188

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.726

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmmg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1027838

Reference Citation

The crystal structure and related material properties of KMg14Cu were obtained from the Materials Project database (MP-ID: mp-1027838, 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_KMg14Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45343141
_cell_length_b   6.42860948
_cell_length_c   10.45803120
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.87285177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg14Cu
_chemical_formula_sum   'K1 Mg14 Cu1'
_cell_volume   376.22124306
_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
  K  K0  1  0.16701858  0.83350879  0.12500000  1.0
  Mg  Mg1  1  0.16411426  0.33205663  0.62500000  1.0
  Mg  Mg2  1  0.16744163  0.83372031  0.62500000  1.0
  Mg  Mg3  1  0.66354494  0.34061259  0.12500000  1.0
  Mg  Mg4  1  0.66529239  0.32943608  0.62500000  1.0
  Mg  Mg5  1  0.66354494  0.82293134  0.12500000  1.0
  Mg  Mg6  1  0.66529239  0.83585531  0.62500000  1.0
  Mg  Mg7  1  0.33536847  0.17746886  0.38206528  1.0
  Mg  Mg8  1  0.33536847  0.17746886  0.86793472  1.0
  Mg  Mg9  1  0.33536847  0.65790060  0.38206528  1.0
  Mg  Mg10  1  0.33536847  0.65790060  0.86793472  1.0
  Mg  Mg11  1  0.84171810  0.17085955  0.36202435  1.0
  Mg  Mg12  1  0.84171810  0.17085955  0.88797565  1.0
  Mg  Mg13  1  0.82611011  0.66305555  0.38964200  1.0
  Mg  Mg14  1  0.82611011  0.66305555  0.86035800  1.0
  Cu  Cu15  1  0.16662060  0.33330980  0.12500000  1.0

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