Mg14VCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026907 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14VCo

MP-ID

mp-1026907

Elements

Sites

Density

2.2669

g/cm³

Volume

329.74

Å³

Cell a

6.2190

Cell b

6.2190

Cell c

9.8446

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
16.46	5.3858	8.9	(1,0,-1,0)
16.46	5.3858	4.4	(0,1,-1,0)
18.02	4.9223	2.6	(0,0,0,2)
24.50	3.6334	5.1	(1,0,-1,2)
28.71	3.1095	2.6	(2,-1,-1,0)
33.27	2.6929	17.1	(2,0,-2,0)
33.27	2.6929	8.6	(0,2,-2,0)
34.11	2.6289	2.9	(2,-1,-1,2)
36.51	2.4611	25.1	(0,0,0,4)
38.09	2.3625	100.0	(2,0,-2,2)
40.29	2.2385	2.6	(1,0,-1,4)
48.39	1.8811	3.9	(3,-1,-2,2)
50.22	1.8167	15.1	(2,0,-2,4)
59.45	1.5548	16.5	(4,-2,-2,0)
66.76	1.4012	11.5	(2,0,-2,6)
66.76	1.4012	5.8	(0,2,-2,6)
69.86	1.3465	1.7	(4,0,-4,0)
71.82	1.3144	6.0	(4,-2,-2,4)
71.82	1.3144	11.9	(2,2,-4,4)
72.82	1.2987	8.6	(4,0,-4,2)
72.82	1.2987	4.3	(0,4,-4,2)
77.58	1.2306	2.4	(0,0,0,8)
81.48	1.1812	2.1	(4,0,-4,4)
81.48	1.1812	1.1	(0,4,-4,4)

Get direct link

Energy Properties

Formation Energy/atom

0.20215

eV/atom

Energy/atom

-2.23810

eV/atom

Energy above Hull

0.2236

eV/atom

Uncorrected Energy

-2.2381

eV/atom

Volume/atom

20.61

Å³

c/a Ratio

1.5830

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.3410

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004070

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

0.4950

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.538%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1537

smaller = more stable mixing

VEC

2.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.208

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.713

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacglcl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026907

Reference Citation

The crystal structure and related material properties of Mg14VCo were obtained from the Materials Project database (MP-ID: mp-1026907, 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_Mg14VCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21898385
_cell_length_b   6.21898336
_cell_length_c   9.84456427
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14VCo
_chemical_formula_sum   'Mg14 V1 Co1'
_cell_volume   329.73567953
_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  0.16586261  0.83293081  0.12500000  1.0
  Mg  Mg1  1  0.17068093  0.83533997  0.62500000  1.0
  Mg  Mg2  1  0.66706919  0.33413739  0.12500000  1.0
  Mg  Mg3  1  0.66466003  0.32931907  0.62500000  1.0
  Mg  Mg4  1  0.66706919  0.83293081  0.12500000  1.0
  Mg  Mg5  1  0.66466003  0.83533997  0.62500000  1.0
  Mg  Mg6  1  0.32391101  0.17608899  0.37164137  1.0
  Mg  Mg7  1  0.32391101  0.17608899  0.87835863  1.0
  Mg  Mg8  1  0.32391101  0.64782302  0.37164137  1.0
  Mg  Mg9  1  0.32391101  0.64782302  0.87835863  1.0
  Mg  Mg10  1  0.85217698  0.17608899  0.37164137  1.0
  Mg  Mg11  1  0.85217698  0.17608899  0.87835863  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37831700  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87168300  1.0
  V  V14  1  0.16666700  0.33333300  0.62500000  1.0
  Co  Co15  1  0.16666700  0.33333300  0.12500000  1.0

Get direct link