HfMg14Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028390 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

HfMg14Co

MP-ID

mp-1028390

Elements

Sites

Density

2.7998

g/cm³

Volume

342.63

Å³

Cell a

6.3561

Cell b

6.0926

Cell c

10.0810

α Angle

90.00

β Angle

90.00

γ Angle

118.64

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
8.77	10.0810	100.0	(0,0,1)
15.89	5.5785	27.0	(1,0,0)
16.58	5.3473	14.9	(1,-1,0)
17.60	5.0405	20.2	(0,0,2)
18.17	4.8810	36.1	(1,0,1)
18.79	4.7239	21.1	(1,-1,1)
23.79	3.7400	16.6	(1,0,2)
24.27	3.6678	13.8	(1,-1,2)
26.53	3.3603	4.4	(0,0,3)
28.11	3.1744	4.5	(2,-1,0)
29.32	3.0463	5.7	(1,-2,0)
29.50	3.0278	10.2	(2,-1,1)
30.66	2.9161	10.2	(1,-2,1)
31.07	2.8785	9.3	(1,0,3)
31.44	2.8452	10.5	(1,-1,3)
32.09	2.7893	9.4	(2,0,0)
33.33	2.6883	7.1	(2,0,1)
33.36	2.6861	7.3	(2,-1,2)
33.52	2.6736	32.2	(2,-2,0)
34.40	2.6072	7.7	(1,-2,2)
34.71	2.5843	14.2	(2,-2,1)
35.62	2.5203	33.4	(0,0,4)
36.83	2.4405	54.8	(2,0,2)
38.10	2.3619	81.0	(2,-2,2)

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Energy Properties

Formation Energy/atom

0.11389

eV/atom

Energy/atom

-2.38094

eV/atom

Energy above Hull

0.1814

eV/atom

Uncorrected Energy

-2.3809

eV/atom

Volume/atom

21.41

Å³

c/a Ratio

1.5860

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0284

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000080

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

0.742

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnhm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028390

Reference Citation

The crystal structure and related material properties of HfMg14Co were obtained from the Materials Project database (MP-ID: mp-1028390, 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   6.35609867
_cell_length_b   6.09259302
_cell_length_c   10.08102228
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.63783404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg14Co
_chemical_formula_sum   'Hf1 Mg14 Co1'
_cell_volume   342.63126505
_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  0.13912956  0.81956428  0.12500000  1.0
  Mg  Mg1  1  0.16179362  0.33089631  0.62500000  1.0
  Mg  Mg2  1  0.16865941  0.83432920  0.62500000  1.0
  Mg  Mg3  1  0.64072876  0.33135511  0.12500000  1.0
  Mg  Mg4  1  0.66165252  0.32710761  0.62500000  1.0
  Mg  Mg5  1  0.64072876  0.80937265  0.12500000  1.0
  Mg  Mg6  1  0.66165252  0.83454391  0.62500000  1.0
  Mg  Mg7  1  0.33513944  0.16999591  0.36437344  1.0
  Mg  Mg8  1  0.33513944  0.16999591  0.88562656  1.0
  Mg  Mg9  1  0.33513944  0.66514454  0.36437344  1.0
  Mg  Mg10  1  0.33513944  0.66514454  0.88562656  1.0
  Mg  Mg11  1  0.86444038  0.18222069  0.34732878  1.0
  Mg  Mg12  1  0.86444038  0.18222069  0.90267122  1.0
  Mg  Mg13  1  0.84160487  0.67080294  0.38085757  1.0
  Mg  Mg14  1  0.84160487  0.67080294  0.86914243  1.0
  Co  Co15  1  0.17300657  0.33650279  0.12500000  1.0

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