Mg14CoW

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028395 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14CoW

MP-ID

mp-1028395

Elements

Sites

Density

2.9997

g/cm³

Volume

322.75

Å³

Cell a

6.1753

Cell b

6.1753

Cell c

9.7729

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
9.05	9.7729	22.6	(0,0,0,1)
16.58	5.3480	59.0	(1,0,-1,0)
18.15	4.8864	14.1	(0,0,0,2)
18.92	4.6915	28.1	(1,0,-1,1)
24.68	3.6074	36.2	(1,0,-1,2)
27.38	3.2576	2.2	(0,0,0,3)
28.92	3.0877	4.7	(2,-1,-1,0)
28.92	3.0877	9.5	(1,1,-2,0)
30.36	2.9442	9.6	(2,-1,-1,1)
32.17	2.7821	5.7	(1,0,-1,3)
32.17	2.7821	2.9	(0,1,-1,3)
33.51	2.6740	30.8	(2,0,-2,0)
34.36	2.6102	17.4	(2,-1,-1,2)
34.78	2.5792	6.7	(2,0,-2,1)
36.79	2.4432	24.4	(0,0,0,4)
38.37	2.3457	100.0	(2,0,-2,2)
40.24	2.2410	4.0	(2,-1,-1,3)
40.60	2.2223	12.7	(1,0,-1,4)
43.80	2.0669	3.4	(2,0,-2,3)
44.84	2.0213	6.6	(3,-1,-2,0)
45.84	1.9794	2.1	(3,-1,-2,1)
45.84	1.9794	4.2	(2,1,-3,1)
47.45	1.9160	7.4	(2,-1,-1,4)
48.75	1.8678	11.2	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

0.21422

eV/atom

Energy/atom

-7.47155

eV/atom

Energy above Hull

0.2142

eV/atom

Uncorrected Energy

-2.4472

eV/atom

Volume/atom

20.17

Å³

c/a Ratio

1.5826

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0825

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000260

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

0.5611

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.125%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2810

smaller = more stable mixing

VEC

2.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.890

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.720

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnhr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028395

Reference Citation

The crystal structure and related material properties of Mg14CoW were obtained from the Materials Project database (MP-ID: mp-1028395, 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

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Raw CIF Data

# generated using pymatgen
data_Mg14CoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17529588
_cell_length_b   6.17529541
_cell_length_c   9.77287335
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CoW
_chemical_formula_sum   'Mg14 Co1 W1'
_cell_volume   322.75159697
_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  0.16637091  0.83318496  0.12500000  1.0
  Mg  Mg1  1  0.17072476  0.83536188  0.62500000  1.0
  Mg  Mg2  1  0.66681504  0.33362909  0.12500000  1.0
  Mg  Mg3  1  0.66463812  0.32927524  0.62500000  1.0
  Mg  Mg4  1  0.66681504  0.83318496  0.12500000  1.0
  Mg  Mg5  1  0.66463812  0.83536188  0.62500000  1.0
  Mg  Mg6  1  0.32282490  0.17717510  0.37210002  1.0
  Mg  Mg7  1  0.32282490  0.17717510  0.87789998  1.0
  Mg  Mg8  1  0.32282490  0.64565080  0.37210002  1.0
  Mg  Mg9  1  0.32282490  0.64565080  0.87789998  1.0
  Mg  Mg10  1  0.85434920  0.17717510  0.37210002  1.0
  Mg  Mg11  1  0.85434920  0.17717510  0.87789998  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37842829  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87157171  1.0
  Co  Co14  1  0.16666700  0.33333300  0.12500000  1.0
  W  W15  1  0.16666700  0.33333300  0.62500000  1.0

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