HfMg14W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026452 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

HfMg14W

MP-ID

mp-1026452

Elements

Sites

Density

3.3841

g/cm³

Volume

344.76

Å³

Cell a

6.3073

Cell b

6.3073

Cell c

10.0069

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
16.23	5.4622	93.0	(1,0,-1,0)
17.73	5.0035	24.3	(0,0,0,2)
24.12	3.6895	67.1	(1,0,-1,2)
28.30	3.1536	24.0	(2,-1,-1,0)
32.79	2.7311	35.2	(2,0,-2,0)
33.59	2.6679	30.6	(2,-1,-1,2)
35.90	2.5017	23.5	(0,0,0,4)
37.52	2.3973	100.0	(2,0,-2,2)
39.62	2.2745	13.8	(1,0,-1,4)
39.62	2.2745	6.9	(0,1,-1,4)
43.85	2.0645	13.5	(3,-1,-2,0)
46.33	1.9599	13.0	(2,-1,-1,4)
47.65	1.9085	8.7	(3,-1,-2,2)
47.65	1.9085	17.4	(2,1,-3,2)
49.40	1.8448	22.3	(2,0,-2,4)
50.10	1.8208	5.1	(3,0,-3,0)
53.56	1.7110	8.5	(3,0,-3,2)
55.06	1.6678	1.4	(0,0,0,6)
57.80	1.5951	6.5	(1,0,-1,6)
57.91	1.5923	12.1	(3,-1,-2,4)
58.54	1.5768	5.6	(4,-2,-2,0)
58.54	1.5768	11.2	(2,2,-4,0)
61.18	1.5150	2.0	(4,-1,-3,0)
61.18	1.5150	3.9	(3,1,-4,0)

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Energy Properties

Formation Energy/atom

0.23846

eV/atom

Energy/atom

-2.62041

eV/atom

Energy above Hull

0.2547

eV/atom

Uncorrected Energy

-2.6204

eV/atom

Volume/atom

21.55

Å³

c/a Ratio

1.5866

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0034

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

1.3265

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.198%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2543

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.471

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.693

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkky

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026452

Reference Citation

The crystal structure and related material properties of HfMg14W were obtained from the Materials Project database (MP-ID: mp-1026452, 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_HfMg14W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30725726
_cell_length_b   6.30725676
_cell_length_c   10.00693939
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg14W
_chemical_formula_sum   'Hf1 Mg14 W1'
_cell_volume   344.75688334
_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
  Hf  Hf0  1  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg1  1  0.16580304  0.83290102  0.12500000  1.0
  Mg  Mg2  1  0.17287850  0.83643875  0.62500000  1.0
  Mg  Mg3  1  0.66709898  0.33419696  0.12500000  1.0
  Mg  Mg4  1  0.66356125  0.32712150  0.62500000  1.0
  Mg  Mg5  1  0.66709898  0.83290102  0.12500000  1.0
  Mg  Mg6  1  0.66356125  0.83643875  0.62500000  1.0
  Mg  Mg7  1  0.32632997  0.17367003  0.36560166  1.0
  Mg  Mg8  1  0.32632997  0.17367003  0.88439834  1.0
  Mg  Mg9  1  0.32632997  0.65266095  0.36560166  1.0
  Mg  Mg10  1  0.32632997  0.65266095  0.88439834  1.0
  Mg  Mg11  1  0.84733905  0.17367003  0.36560166  1.0
  Mg  Mg12  1  0.84733905  0.17367003  0.88439834  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37858622  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87141378  1.0
  W  W15  1  0.16666700  0.33333300  0.12500000  1.0

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