HfMg14Nb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026524 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

HfMg14Nb

MP-ID

mp-1026524

Elements

Sites

Density

2.8720

g/cm³

Volume

353.66

Å³

Cell a

6.3902

Cell b

6.3902

Cell c

10.0005

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
8.84	10.0005	8.0	(0,0,0,1)
16.02	5.5341	64.3	(1,0,-1,0)
17.74	5.0002	16.3	(0,0,0,2)
18.32	4.8421	10.9	(1,0,-1,1)
23.99	3.7101	45.8	(1,0,-1,2)
27.92	3.1951	5.5	(2,-1,-1,0)
27.92	3.1951	11.0	(1,1,-2,0)
29.35	3.0435	1.3	(2,-1,-1,1)
29.35	3.0435	2.6	(1,1,-2,1)
31.33	2.8555	3.4	(1,0,-1,3)
32.35	2.7671	31.9	(2,0,-2,0)
33.28	2.6924	20.8	(2,-1,-1,2)
33.61	2.6668	2.8	(2,0,-2,1)
35.92	2.5001	23.4	(0,0,0,4)
37.14	2.4211	100.0	(2,0,-2,2)
39.05	2.3067	1.6	(2,-1,-1,3)
39.55	2.2784	13.7	(1,0,-1,4)
42.46	2.1291	1.3	(2,0,-2,3)
43.25	2.0917	9.2	(3,-1,-2,0)
44.24	2.0474	2.6	(3,-1,-2,1)
46.10	1.9690	8.5	(2,-1,-1,4)
47.10	1.9297	5.8	(3,-1,-2,2)
47.10	1.9297	11.7	(2,1,-3,2)
49.11	1.8551	13.0	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.16632

eV/atom

Energy/atom

-2.51399

eV/atom

Energy above Hull

0.1663

eV/atom

Uncorrected Energy

-2.5140

eV/atom

Volume/atom

22.10

Å³

c/a Ratio

1.5650

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

1.4375

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.126%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0704

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.045

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.752

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkns

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026524

Reference Citation

The crystal structure and related material properties of HfMg14Nb were obtained from the Materials Project database (MP-ID: mp-1026524, 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_HfMg14Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39022147
_cell_length_b   6.39022095
_cell_length_c   10.00044868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg14Nb
_chemical_formula_sum   'Hf1 Mg14 Nb1'
_cell_volume   353.65670008
_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  0.16775804  0.83387852  0.12500000  1.0
  Mg  Mg2  1  0.16967509  0.83483704  0.62500000  1.0
  Mg  Mg3  1  0.66612148  0.33224196  0.12500000  1.0
  Mg  Mg4  1  0.66516296  0.33032491  0.62500000  1.0
  Mg  Mg5  1  0.66612148  0.83387852  0.12500000  1.0
  Mg  Mg6  1  0.66516296  0.83483704  0.62500000  1.0
  Mg  Mg7  1  0.32866070  0.17133930  0.37145148  1.0
  Mg  Mg8  1  0.32866070  0.17133930  0.87854852  1.0
  Mg  Mg9  1  0.32866070  0.65732239  0.37145148  1.0
  Mg  Mg10  1  0.32866070  0.65732239  0.87854852  1.0
  Mg  Mg11  1  0.84267761  0.17133930  0.37145148  1.0
  Mg  Mg12  1  0.84267761  0.17133930  0.87854852  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37596189  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87403811  1.0
  Nb  Nb15  1  0.16666700  0.33333300  0.12500000  1.0

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