HfMg14Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028386 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

HfMg14Co

MP-ID

mp-1028386

Elements

Sites

Density

2.7902

g/cm³

Volume

343.80

Å³

Cell a

6.2952

Cell b

6.2952

Cell c

10.0176

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
8.83	10.0176	17.9	(0,0,0,1)
16.26	5.4518	54.0	(1,0,-1,0)
17.71	5.0088	13.9	(0,0,0,2)
18.53	4.7886	24.7	(1,0,-1,1)
24.13	3.6884	36.3	(1,0,-1,2)
26.70	3.3392	2.9	(0,0,0,3)
28.35	3.1476	13.5	(2,-1,-1,0)
29.75	3.0029	9.6	(2,-1,-1,1)
31.42	2.8475	9.2	(1,0,-1,3)
32.86	2.7259	30.4	(2,0,-2,0)
33.63	2.6651	16.9	(2,-1,-1,2)
34.09	2.6303	6.6	(2,0,-2,1)
35.86	2.5044	24.2	(0,0,0,4)
37.57	2.3943	100.0	(2,0,-2,2)
39.34	2.2904	3.0	(2,-1,-1,3)
39.60	2.2758	11.8	(1,0,-1,4)
42.83	2.1116	2.7	(2,0,-2,3)
43.94	2.0606	2.3	(3,-1,-2,0)
43.94	2.0606	4.6	(2,1,-3,0)
44.91	2.0183	5.8	(3,-1,-2,1)
46.33	1.9598	7.2	(2,-1,-1,4)
47.73	1.9056	15.2	(3,-1,-2,2)
48.40	1.8806	1.8	(1,0,-1,5)
49.42	1.8442	18.9	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.14297

eV/atom

Energy/atom

-2.35185

eV/atom

Energy above Hull

0.2105

eV/atom

Uncorrected Energy

-2.3519

eV/atom

Volume/atom

21.49

Å³

c/a Ratio

1.5913

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.2271

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003570

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

0.4405

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.363%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1382

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.401

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.722

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnhi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028386

Reference Citation

The crystal structure and related material properties of HfMg14Co were obtained from the Materials Project database (MP-ID: mp-1028386, 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_HfMg14Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29518021
_cell_length_b   6.29517972
_cell_length_c   10.01763236
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg14Co
_chemical_formula_sum   'Hf1 Mg14 Co1'
_cell_volume   343.80485832
_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  0.16243315  0.83121607  0.12500000  1.0
  Mg  Mg2  1  0.17578844  0.83789372  0.62500000  1.0
  Mg  Mg3  1  0.66878393  0.33756685  0.12500000  1.0
  Mg  Mg4  1  0.66210628  0.32421156  0.62500000  1.0
  Mg  Mg5  1  0.66878393  0.83121607  0.12500000  1.0
  Mg  Mg6  1  0.66210628  0.83789372  0.62500000  1.0
  Mg  Mg7  1  0.32615716  0.17384284  0.36343332  1.0
  Mg  Mg8  1  0.32615716  0.17384284  0.88656668  1.0
  Mg  Mg9  1  0.32615716  0.65231532  0.36343332  1.0
  Mg  Mg10  1  0.32615716  0.65231532  0.88656668  1.0
  Mg  Mg11  1  0.84768468  0.17384284  0.36343332  1.0
  Mg  Mg12  1  0.84768468  0.17384284  0.88656668  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38213832  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86786168  1.0
  Co  Co15  1  0.16666700  0.33333300  0.12500000  1.0

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