Mg14ZnCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028039 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14ZnCo

MP-ID

mp-1028039

Elements

Sites

Density

2.3087

g/cm³

Volume

334.17

Å³

Cell a

6.2652

Cell b

6.3253

Cell c

9.7683

α Angle

90.00

β Angle

90.00

γ Angle

120.32

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
9.05	9.7683	81.8	(0,0,1)
16.39	5.4084	19.8	(1,0,0)
18.16	4.8841	13.6	(0,0,2)
18.75	4.7316	28.0	(1,0,1)
24.56	3.6248	10.4	(1,0,2)
28.22	3.1627	4.1	(1,-2,0)
29.69	3.0089	4.7	(1,-2,1)
32.09	2.7896	6.1	(1,0,3)
32.80	2.7301	50.8	(2,-2,0)
33.13	2.7042	27.7	(2,0,0)
33.76	2.6547	4.4	(1,-2,2)
34.10	2.6294	7.6	(2,-2,1)
34.41	2.6062	3.5	(2,0,1)
36.80	2.4421	65.3	(0,0,4)
37.75	2.3831	100.0	(2,-2,2)
37.75	2.3831	100.0	(0,2,2)
38.04	2.3658	90.9	(2,0,2)
39.73	2.2687	7.7	(1,-2,3)
40.53	2.2257	3.6	(1,0,4)
43.25	2.0921	10.7	(2,-2,3)
43.50	2.0803	4.5	(2,0,3)
44.06	2.0553	2.3	(3,-2,0)
45.08	2.0113	4.0	(3,-2,1)
45.08	2.0113	4.0	(1,2,1)

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Energy Properties

Formation Energy/atom

0.08716

eV/atom

Energy/atom

-1.86408

eV/atom

Energy above Hull

0.1049

eV/atom

Uncorrected Energy

-1.8641

eV/atom

Volume/atom

20.89

Å³

c/a Ratio

1.5591

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0129

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

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)

aaacgmtz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028039

Reference Citation

The crystal structure and related material properties of Mg14ZnCo were obtained from the Materials Project database (MP-ID: mp-1028039, 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_Mg14ZnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26521914
_cell_length_b   6.32533125
_cell_length_c   9.76827165
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.31790197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14ZnCo
_chemical_formula_sum   'Mg14 Zn1 Co1'
_cell_volume   334.17022620
_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  0.17278708  0.33639304  0.62500000  1.0
  Mg  Mg1  1  0.17126014  0.83562957  0.62500000  1.0
  Mg  Mg2  1  0.69996339  0.35142284  0.12500000  1.0
  Mg  Mg3  1  0.66305587  0.33404456  0.62500000  1.0
  Mg  Mg4  1  0.69996339  0.84853955  0.12500000  1.0
  Mg  Mg5  1  0.66305587  0.82901031  0.62500000  1.0
  Mg  Mg6  1  0.32025762  0.15257762  0.34765961  1.0
  Mg  Mg7  1  0.32025762  0.15257762  0.90234039  1.0
  Mg  Mg8  1  0.32025762  0.66768100  0.34765961  1.0
  Mg  Mg9  1  0.32025762  0.66768100  0.90234039  1.0
  Mg  Mg10  1  0.83159611  0.16579855  0.37691832  1.0
  Mg  Mg11  1  0.83159611  0.16579855  0.87308168  1.0
  Mg  Mg12  1  0.84034029  0.67017065  0.36742972  1.0
  Mg  Mg13  1  0.84034029  0.67017065  0.88257028  1.0
  Zn  Zn14  1  0.15688478  0.32844189  0.12500000  1.0
  Co  Co15  1  0.14812621  0.82406260  0.12500000  1.0

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