Mg14VZn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1027975 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14VZn

MP-ID

mp-1027975

Elements

Sites

Density

2.1895

g/cm³

Volume

346.30

Å³

Cell a

6.2954

Cell b

6.2954

Cell c

10.0896

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
8.76	10.0896	1.3	(0,0,0,1)
16.26	5.4520	19.4	(1,0,-1,0)
17.58	5.0448	4.8	(0,0,0,2)
18.50	4.7965	1.9	(1,0,-1,1)
24.03	3.7028	12.1	(1,0,-1,2)
28.35	3.1477	4.6	(2,-1,-1,0)
32.86	2.7260	38.3	(2,0,-2,0)
33.56	2.6705	1.9	(2,-1,-1,2)
33.56	2.6705	3.8	(1,1,-2,2)
35.59	2.5224	38.5	(0,0,0,4)
37.50	2.3983	100.0	(2,0,-2,2)
37.50	2.3983	50.0	(0,2,-2,2)
39.36	2.2893	4.1	(1,0,-1,4)
43.94	2.0607	1.3	(3,-1,-2,0)
46.11	1.9684	2.3	(2,-1,-1,4)
47.67	1.9077	3.4	(3,-1,-2,2)
47.67	1.9077	1.7	(1,2,-3,2)
49.21	1.8514	23.4	(2,0,-2,4)
53.60	1.7098	1.5	(3,0,-3,2)
57.77	1.5958	1.1	(3,-1,-2,4)
58.66	1.5739	25.2	(4,-2,-2,0)
65.18	1.4312	27.1	(2,0,-2,6)
68.89	1.3630	4.0	(4,0,-4,0)
70.53	1.3353	9.3	(4,-2,-2,4)

Get direct link

Energy Properties

Formation Energy/atom

0.09769

eV/atom

Energy/atom

-1.97545

eV/atom

Energy above Hull

0.1110

eV/atom

Uncorrected Energy

-1.9755

eV/atom

Volume/atom

21.64

Å³

c/a Ratio

1.6027

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.0758

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.008880

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

1.3935

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.486%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1092

smaller = more stable mixing

VEC

2.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.730

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.789

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmrn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1027975

Reference Citation

The crystal structure and related material properties of Mg14VZn were obtained from the Materials Project database (MP-ID: mp-1027975, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Mg14VZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29540259
_cell_length_b   6.29540209
_cell_length_c   10.08960370
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000260
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14VZn
_chemical_formula_sum   'Mg14 V1 Zn1'
_cell_volume   346.29937730
_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  0.16548915  0.83274408  0.12500000  1.0
  Mg  Mg1  1  0.16871763  0.83435831  0.62500000  1.0
  Mg  Mg2  1  0.66725592  0.33451085  0.12500000  1.0
  Mg  Mg3  1  0.66564169  0.33128237  0.62500000  1.0
  Mg  Mg4  1  0.66725592  0.83274408  0.12500000  1.0
  Mg  Mg5  1  0.66564169  0.83435831  0.62500000  1.0
  Mg  Mg6  1  0.32946490  0.17053510  0.37533425  1.0
  Mg  Mg7  1  0.32946490  0.17053510  0.87466575  1.0
  Mg  Mg8  1  0.32946490  0.65893080  0.37533425  1.0
  Mg  Mg9  1  0.32946490  0.65893080  0.87466575  1.0
  Mg  Mg10  1  0.84106920  0.17053510  0.37533425  1.0
  Mg  Mg11  1  0.84106920  0.17053510  0.87466575  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37467044  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87532956  1.0
  V  V14  1  0.16666700  0.33333300  0.62500000  1.0
  Zn  Zn15  1  0.16666700  0.33333300  0.12500000  1.0

Get direct link