Mg14ZnCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1027994 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14ZnCo

MP-ID

mp-1027994

Elements

Sites

Density

2.3308

g/cm³

Volume

331.00

Å³

Cell a

6.2622

Cell b

6.2622

Cell c

9.7464

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
16.34	5.4233	28.3	(1,0,-1,0)
18.20	4.8732	5.9	(0,0,0,2)
24.56	3.6248	13.6	(1,0,-1,2)
28.51	3.1311	6.2	(2,-1,-1,0)
33.03	2.7116	39.9	(2,0,-2,0)
34.03	2.6342	7.3	(2,-1,-1,2)
36.89	2.4366	35.9	(0,0,0,4)
37.97	2.3695	100.0	(2,0,-2,2)
37.97	2.3695	50.0	(0,2,-2,2)
40.59	2.2226	5.7	(1,0,-1,4)
44.18	2.0498	1.4	(2,1,-3,0)
47.27	1.9230	3.0	(2,-1,-1,4)
48.16	1.8895	8.4	(3,-1,-2,2)
50.35	1.8124	23.1	(2,0,-2,4)
50.49	1.8078	1.3	(3,0,-3,0)
54.11	1.6949	2.2	(3,0,-3,2)
58.88	1.5686	1.7	(3,-1,-2,4)
59.00	1.5656	25.4	(4,-2,-2,0)
59.39	1.5561	1.1	(1,0,-1,6)
64.15	1.4518	1.2	(3,0,-3,4)
64.88	1.4372	1.2	(4,-1,-3,2)
67.18	1.3935	25.2	(2,0,-2,6)
69.31	1.3558	2.7	(4,0,-4,0)
69.31	1.3558	1.4	(0,4,-4,0)

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Energy Properties

Formation Energy/atom

0.08577

eV/atom

Energy/atom

-1.86546

eV/atom

Energy above Hull

0.1035

eV/atom

Uncorrected Energy

-1.8655

eV/atom

Volume/atom

20.69

Å³

c/a Ratio

1.5564

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0164

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

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

0.4693

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.538%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1559

smaller = more stable mixing

VEC

3.063

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.893

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.793

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmsg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1027994

Reference Citation

The crystal structure and related material properties of Mg14ZnCo were obtained from the Materials Project database (MP-ID: mp-1027994, 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_Mg14ZnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26223667
_cell_length_b   6.26223618
_cell_length_c   9.74640246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14ZnCo
_chemical_formula_sum   'Mg14 Zn1 Co1'
_cell_volume   331.00448743
_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  0.16680468  0.83340184  0.12500000  1.0
  Mg  Mg1  1  0.16531013  0.83265456  0.62500000  1.0
  Mg  Mg2  1  0.66659816  0.33319532  0.12500000  1.0
  Mg  Mg3  1  0.66734544  0.33468987  0.62500000  1.0
  Mg  Mg4  1  0.66659816  0.83340184  0.12500000  1.0
  Mg  Mg5  1  0.66734544  0.83265456  0.62500000  1.0
  Mg  Mg6  1  0.32477429  0.17522571  0.38093410  1.0
  Mg  Mg7  1  0.32477429  0.17522571  0.86906590  1.0
  Mg  Mg8  1  0.32477429  0.64954958  0.38093410  1.0
  Mg  Mg9  1  0.32477429  0.64954958  0.86906590  1.0
  Mg  Mg10  1  0.85045042  0.17522571  0.38093410  1.0
  Mg  Mg11  1  0.85045042  0.17522571  0.86906590  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37251949  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87748051  1.0
  Zn  Zn14  1  0.16666700  0.33333300  0.12500000  1.0
  Co  Co15  1  0.16666700  0.33333300  0.62500000  1.0

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