Mg14CrW

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026538 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CrW

MP-ID

mp-1026538

Elements

Sites

Density

2.8454

g/cm³

Volume

336.21

Å³

Cell a

6.2783

Cell b

6.1392

Cell c

9.9995

α Angle

90.00

β Angle

90.00

γ Angle

119.27

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
8.84	9.9995	100.0	(0,0,1)
16.18	5.4767	26.8	(1,0,0)
16.55	5.3554	22.0	(1,-1,0)
17.74	4.9998	20.0	(0,0,2)
18.47	4.8034	37.0	(1,0,1)
18.80	4.7210	32.2	(1,-1,1)
24.10	3.6925	17.3	(1,0,2)
24.36	3.6546	16.7	(1,-1,2)
26.75	3.3332	4.8	(0,0,3)
28.44	3.1381	3.0	(2,-1,0)
28.44	3.1381	3.0	(1,1,0)
29.09	3.0696	6.0	(1,-2,0)
29.84	2.9941	10.4	(2,-1,1)
30.46	2.9345	10.1	(1,-2,1)
31.42	2.8473	9.1	(1,0,3)
31.62	2.8298	8.8	(1,-1,3)
32.70	2.7383	13.1	(2,0,0)
33.47	2.6777	30.3	(2,-2,0)
33.72	2.6579	7.8	(2,-1,2)
33.94	2.6411	7.4	(2,0,1)
34.28	2.6159	7.7	(1,-2,2)
34.68	2.5866	14.4	(2,-2,1)
35.92	2.4999	35.6	(0,0,4)
37.45	2.4017	52.3	(2,0,2)

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Energy Properties

Formation Energy/atom

0.23080

eV/atom

Energy/atom

-2.60906

eV/atom

Energy above Hull

0.2308

eV/atom

Uncorrected Energy

-2.6091

eV/atom

Volume/atom

21.01

Å³

c/a Ratio

1.5927

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.8406

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.008450

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

1.2857

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.729%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2625

smaller = more stable mixing

VEC

2.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.520

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.709

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkog

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026538

Reference Citation

The crystal structure and related material properties of Mg14CrW were obtained from the Materials Project database (MP-ID: mp-1026538, 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_Mg14CrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27825011
_cell_length_b   6.13924041
_cell_length_c   9.99954491
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.27023461
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CrW
_chemical_formula_sum   'Mg14 Cr1 W1'
_cell_volume   336.21029378
_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  0.16845454  0.33422677  0.62500000  1.0
  Mg  Mg1  1  0.16641513  0.83320707  0.62500000  1.0
  Mg  Mg2  1  0.66490706  0.33286803  0.12500000  1.0
  Mg  Mg3  1  0.66415338  0.33265182  0.62500000  1.0
  Mg  Mg4  1  0.66490706  0.83203803  0.12500000  1.0
  Mg  Mg5  1  0.66415338  0.83150056  0.62500000  1.0
  Mg  Mg6  1  0.32791160  0.16015889  0.36190097  1.0
  Mg  Mg7  1  0.32791160  0.16015889  0.88809903  1.0
  Mg  Mg8  1  0.32791160  0.66775371  0.36190097  1.0
  Mg  Mg9  1  0.32791160  0.66775371  0.88809903  1.0
  Mg  Mg10  1  0.84273712  0.17136906  0.37160907  1.0
  Mg  Mg11  1  0.84273712  0.17136906  0.87839093  1.0
  Mg  Mg12  1  0.84535986  0.67268043  0.36778358  1.0
  Mg  Mg13  1  0.84535986  0.67268043  0.88221642  1.0
  Cr  Cr14  1  0.16397686  0.33198793  0.12500000  1.0
  W  W15  1  0.15519223  0.82759561  0.12500000  1.0

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