HfMnGe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1080769 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

HfMnGe

MP-ID

mp-1080769

Elements

Sites

Density

10.2709

g/cm³

Volume

148.45

Å³

Cell a

6.7438

Cell b

6.7437

Cell c

3.7691

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
15.17	5.8404	6.1	(1,0,-1,0)
15.17	5.8403	6.1	(1,-1,0,0)
15.17	5.8403	6.1	(0,1,-1,0)
23.60	3.7691	42.4	(0,0,0,1)
26.43	3.3719	22.4	(2,-1,-1,0)
26.43	3.3719	22.4	(1,1,-2,0)
26.43	3.3719	22.4	(1,-2,1,0)
30.61	2.9202	22.3	(2,0,-2,0)
30.62	2.9201	22.3	(2,-2,0,0)
30.62	2.9201	22.3	(0,2,-2,0)
35.73	2.5131	100.0	(2,-1,-1,1)
35.73	2.5130	100.0	(1,1,-2,1)
35.73	2.5130	100.0	(1,-2,1,1)
39.02	2.3084	88.4	(2,0,-2,1)
39.02	2.3084	88.4	(2,-2,0,1)
39.02	2.3084	88.3	(0,2,-2,1)
40.88	2.2074	18.1	(3,-1,-2,0)
40.88	2.2074	18.1	(2,1,-3,0)
40.88	2.2074	18.1	(3,-2,-1,0)
40.88	2.2074	18.1	(1,2,-3,0)
40.88	2.2074	18.1	(2,-3,1,0)
40.88	2.2074	18.1	(1,-3,2,0)
46.66	1.9468	20.7	(3,0,-3,0)
46.66	1.9468	20.7	(3,-3,0,0)

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Energy Properties

Formation Energy/atom

-0.53469

eV/atom

Energy/atom

-8.44877

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.2529

eV/atom

Volume/atom

16.49

Å³

c/a Ratio

0.5589

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.4593

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.056980

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Hf · 0.333

Element Family

5d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.6864

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.371%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2941

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-23.228

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Hf-rich Multi-Component

Matrix Element

Hf · 0.333

Related Tasks

Related computation task IDs (5)

aaadnarp aaadsljo aaaemmjt aaaeubit aaafiyed

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1080769

Reference Citation

The crystal structure and related material properties of HfMnGe were obtained from the Materials Project database (MP-ID: mp-1080769, 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_HfMnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74383568
_cell_length_b   6.74374214
_cell_length_c   3.76912919
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99975503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnGe
_chemical_formula_sum   'Hf3 Mn3 Ge3'
_cell_volume   148.45015752
_cell_formula_units_Z   3
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  0.99996646  0.41253755  0.50000000  1.0
  Hf  Hf1  1  0.58747099  0.58748206  0.50000000  1.0
  Hf  Hf2  1  0.41255319  0.99997751  0.50000000  1.0
  Mn  Mn3  1  -0.00000673  0.75209998  -0.00000000  1.0
  Mn  Mn4  1  0.24790652  0.24790338  0.00000000  1.0
  Mn  Mn5  1  0.75210015  -0.00000585  -0.00000000  1.0
  Ge  Ge6  1  0.33335093  0.66669287  -0.00000000  1.0
  Ge  Ge7  1  0.66669054  0.33332295  -0.00000000  1.0
  Ge  Ge8  1  -0.00003206  -0.00001145  0.50000000  1.0

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