Hf10Ga5GeN2

High-Entropy Materials HEA

MP-ID: mp-3294643 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Hf10Ga5GeN2

MP-ID

mp-3294643

Elements

Sites

Density

12.1640

g/cm³

Volume

304.99

Å³

Cell a

7.9121

Cell b

7.9121

Cell c

5.6325

α Angle

90.00

β Angle

90.00

γ Angle

120.12

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
22.47	3.9560	13.6	(2,-1,-1,0)
22.47	3.9560	13.6	(1,-2,1,0)
22.52	3.9490	13.6	(1,1,-2,0)
25.99	3.4281	16.9	(2,-2,0,0)
26.04	3.4220	18.0	(2,0,-2,0)
26.04	3.4219	18.0	(0,2,-2,0)
27.55	3.2373	15.3	(2,-1,-1,1)
27.55	3.2373	15.3	(1,-2,1,1)
27.59	3.2334	15.4	(1,1,-2,1)
31.77	2.8162	38.4	(0,0,0,2)
34.43	2.6050	49.6	(1,-1,0,2)
34.44	2.6044	48.2	(1,0,-1,2)
34.44	2.6044	48.2	(0,1,-1,2)
34.62	2.5907	32.8	(3,-2,-1,0)
34.62	2.5907	32.8	(2,-3,1,0)
34.65	2.5887	31.4	(3,-1,-2,0)
34.65	2.5887	31.4	(1,-3,2,0)
34.70	2.5854	31.3	(2,1,-3,0)
34.70	2.5854	31.3	(1,2,-3,0)
38.24	2.3537	72.9	(3,-2,-1,1)
38.24	2.3537	72.9	(2,-3,1,1)
38.26	2.3522	72.9	(3,-1,-2,1)
38.26	2.3522	72.9	(1,-3,2,1)
38.31	2.3497	73.1	(2,1,-3,1)

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Energy Properties

Formation Energy/atom

-0.95568

eV/atom

Energy/atom

-31.00332

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.0033

eV/atom

Volume/atom

16.94

Å³

c/a Ratio

0.7119

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

Hf · 0.556

Element Family

5d-TM

Solute Fraction

0.444

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0871

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0379

J/mol·K

Ω Parameter

0.2648

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.591%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5445

smaller = more stable mixing

VEC

3.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-52.922

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7842

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfltb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294643

Reference Citation

The crystal structure and related material properties of Hf10Ga5GeN2 were obtained from the Materials Project database (MP-ID: mp-3294643, 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_Hf10Ga5GeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91208943
_cell_length_b   7.91206011
_cell_length_c   5.63245454
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.11826339
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf10Ga5GeN2
_chemical_formula_sum   'Hf10 Ga5 Ge1 N2'
_cell_volume   304.99330724
_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  0.22797524  0.00009367  0.25000000  1.0
  Hf  Hf1  1  0.77188249  0.99986505  0.75000000  1.0
  Hf  Hf2  1  0.00009229  0.22797579  0.25000000  1.0
  Hf  Hf3  1  0.99986420  0.77188368  0.75000000  1.0
  Hf  Hf4  1  0.77166320  0.77166397  0.25000000  1.0
  Hf  Hf5  1  0.22880539  0.22880613  0.75000000  1.0
  Hf  Hf6  1  0.33318375  0.66735049  0.00007876  1.0
  Hf  Hf7  1  0.66734927  0.33318411  0.00007901  1.0
  Hf  Hf8  1  0.66734927  0.33318411  0.49992099  1.0
  Hf  Hf9  1  0.33318375  0.66735049  0.49992124  1.0
  Ga  Ga10  1  0.59921477  0.00024879  0.25000000  1.0
  Ga  Ga11  1  0.40030934  0.99981892  0.75000000  1.0
  Ga  Ga12  1  0.00024180  0.59921258  0.25000000  1.0
  Ga  Ga13  1  0.99980897  0.40030070  0.75000000  1.0
  Ga  Ga14  1  0.39994729  0.39993366  0.25000000  1.0
  Ge  Ge15  1  0.59957214  0.59956893  0.75000000  1.0
  N  N16  1  0.99977893  0.99977997  0.00003126  1.0
  N  N17  1  0.99977893  0.99977997  0.49996874  1.0

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