Mg14VCr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028308 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14VCr

MP-ID

mp-1028308

Elements

Sites

Density

2.1158

g/cm³

Volume

347.84

Å³

Cell a

6.3131

Cell b

6.3487

Cell c

10.0401

α Angle

90.00

β Angle

90.00

γ Angle

120.19

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
8.81	10.0401	19.1	(0,0,1)
16.24	5.4570	4.7	(1,0,0)
17.67	5.0200	3.1	(0,0,2)
18.51	4.7946	5.9	(1,0,1)
24.09	3.6946	2.3	(1,0,2)
29.51	3.0267	1.5	(1,-2,1)
31.36	2.8529	1.2	(1,0,3)
32.63	2.7439	12.6	(2,-2,0)
32.63	2.7439	12.6	(0,2,0)
32.82	2.7285	12.5	(2,0,0)
33.40	2.6830	1.2	(1,-2,2)
33.87	2.6468	2.0	(2,-2,1)
35.77	2.5100	37.1	(0,0,4)
37.35	2.4077	100.0	(2,-2,2)
37.52	2.3973	49.1	(2,0,2)
39.11	2.3031	1.0	(1,-2,3)
42.61	2.1219	1.9	(2,-2,3)
47.53	1.9130	1.2	(3,-2,2)
49.20	1.8520	14.8	(2,-2,4)
49.33	1.8473	7.4	(2,0,4)
58.12	1.5872	8.5	(2,-4,0)
58.48	1.5783	16.6	(4,-2,0)
65.32	1.4286	8.5	(2,-2,6)
65.32	1.4286	8.5	(0,2,6)

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Energy Properties

Formation Energy/atom

0.18391

eV/atom

Energy/atom

-2.41381

eV/atom

Energy above Hull

0.1891

eV/atom

Uncorrected Energy

-2.4138

eV/atom

Volume/atom

21.74

Å³

c/a Ratio

1.5903

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.8158

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.019590

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

1.1161

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.171%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1109

smaller = more stable mixing

VEC

2.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.729

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.736

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnei

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028308

Reference Citation

The crystal structure and related material properties of Mg14VCr were obtained from the Materials Project database (MP-ID: mp-1028308, 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_Mg14VCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31313874
_cell_length_b   6.34870565
_cell_length_c   10.04007071
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.18654533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14VCr
_chemical_formula_sum   'Mg14 V1 Cr1'
_cell_volume   347.83917235
_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  0.16824834  0.33412367  0.62500000  1.0
  Mg  Mg1  1  0.16846051  0.83422976  0.62500000  1.0
  Mg  Mg2  1  0.66460709  0.33133249  0.12500000  1.0
  Mg  Mg3  1  0.66603460  0.33279192  0.62500000  1.0
  Mg  Mg4  1  0.66460709  0.83327361  0.12500000  1.0
  Mg  Mg5  1  0.66603460  0.83324168  0.62500000  1.0
  Mg  Mg6  1  0.32761448  0.16432725  0.36594922  1.0
  Mg  Mg7  1  0.32761448  0.16432725  0.88405078  1.0
  Mg  Mg8  1  0.32761448  0.66328823  0.36594922  1.0
  Mg  Mg9  1  0.32761448  0.66328823  0.88405078  1.0
  Mg  Mg10  1  0.83942105  0.16971102  0.37127868  1.0
  Mg  Mg11  1  0.83942105  0.16971102  0.87872132  1.0
  Mg  Mg12  1  0.83853217  0.66926659  0.37054450  1.0
  Mg  Mg13  1  0.83853217  0.66926659  0.87945550  1.0
  V  V14  1  0.16717182  0.33358541  0.12500000  1.0
  Cr  Cr15  1  0.16847160  0.83423530  0.12500000  1.0

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