MnNbGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9951 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

MnNbGe

MP-ID

mp-9951

Elements

Sites

Density

7.8365

g/cm³

Volume

140.16

Å³

Cell a

6.6234

Cell b

6.6233

Cell c

3.6892

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
24.12	3.6892	2.2	(0,0,0,1)
26.92	3.3118	6.6	(1,1,-2,0)
26.92	3.3117	6.6	(2,-1,-1,0)
26.92	3.3117	6.6	(1,-2,1,0)
31.19	2.8681	11.1	(2,0,-2,0)
31.19	2.8680	11.1	(0,2,-2,0)
31.19	2.8680	11.1	(2,-2,0,0)
36.46	2.4644	42.5	(1,1,-2,1)
36.46	2.4644	42.5	(1,1,-2,-1)
36.46	2.4644	85.0	(2,-1,-1,1)
36.46	2.4644	42.5	(1,-2,1,-1)
36.46	2.4644	42.5	(1,-2,1,1)
39.81	2.2643	100.0	(2,0,-2,1)
39.81	2.2643	100.0	(0,2,-2,1)
39.81	2.2643	100.0	(2,-2,0,1)
41.66	2.1681	18.7	(2,1,-3,0)
41.66	2.1680	18.7	(1,2,-3,0)
41.66	2.1680	18.7	(3,-1,-2,0)
41.66	2.1680	18.7	(3,-2,-1,0)
41.66	2.1680	18.7	(1,-3,2,0)
41.66	2.1680	18.7	(2,-3,1,0)
47.56	1.9120	27.1	(3,0,-3,0)
47.56	1.9120	27.1	(0,3,-3,0)
47.56	1.9120	27.1	(3,-3,0,0)

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Energy Properties

Formation Energy/atom

-0.32408

eV/atom

Energy/atom

-8.28620

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.2287

eV/atom

Volume/atom

15.57

Å³

c/a Ratio

0.5570

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.2637

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.066090

μB/Å³

Elastic Properties

K_VRH

182.253

GPa

G_VRH

81.575

GPa

Young's Modulus E

212.953

GPa

Poisson Ratio ν

0.305

Pugh Ratio K/G

2.234

Vickers Hardness Est.

7.252

GPa

Ductility

Brittle

Anisotropy

0.901

Lame λ

127.870

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.333

Element Family

3d-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

1.5665

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.133%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2061

smaller = more stable mixing

VEC

5.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.652

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.595

Family

Mn-rich Multi-Component

Matrix Element

Mn · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.9010

Homogeneous Poisson ν

0.3050

Debye Temperature

429.8

Sound Velocity

3,606.2

m/s

Homogeneity

0.3050

Related Tasks

Related computation task IDs (5)

aaadmiiy aaadrdus aaaeuuhp aaafxgrc aaafzyki

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9951

Reference Citation

The crystal structure and related material properties of MnNbGe were obtained from the Materials Project database (MP-ID: mp-9951, 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_MnNbGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62342884
_cell_length_b   6.62331807
_cell_length_c   3.68919076
_cell_angle_alpha   89.99998665
_cell_angle_beta   90.00000310
_cell_angle_gamma   119.99867598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbGe
_chemical_formula_sum   'Mn3 Nb3 Ge3'
_cell_volume   140.16062483
_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
  Mn  Mn0  1  -0.00000256  0.75109270  0.00000022  1.0
  Mn  Mn1  1  0.24890849  0.24890874  -0.00000012  1.0
  Mn  Mn2  1  0.75108759  -0.00000213  -0.00000009  1.0
  Nb  Nb3  1  0.00000619  0.41578017  0.50000001  1.0
  Nb  Nb4  1  0.58423156  0.58422433  0.49999991  1.0
  Nb  Nb5  1  0.41576623  0.99999895  0.49999999  1.0
  Ge  Ge6  1  0.33334572  0.66667933  -0.00000002  1.0
  Ge  Ge7  1  0.66667889  0.33332516  -0.00000001  1.0
  Ge  Ge8  1  0.99997791  -0.00000726  0.50000011  1.0

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