MnGeRh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079184 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

MnGeRh

MP-ID

mp-1079184

Elements

Sites

Density

8.6167

g/cm³

Volume

133.25

Å³

Cell a

3.6221

Cell b

6.5176

Cell c

6.5176

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P-62m

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
15.70	5.6445	13.0	(0,0,0,1)
15.70	5.6445	13.0	(0,1,-1,0)
15.70	5.6443	13.0	(0,1,-1,-1)
24.58	3.6221	65.6	(1,0,-1,0)
27.37	3.2589	13.0	(0,1,-1,1)
27.37	3.2588	13.0	(0,1,-1,-2)
27.37	3.2588	13.0	(0,2,-2,-1)
37.11	2.4226	100.0	(1,1,-2,1)
37.11	2.4226	100.0	(1,1,-2,-2)
37.11	2.4226	100.0	(1,2,-3,-1)
40.52	2.2262	88.2	(1,0,-1,2)
40.52	2.2262	88.1	(1,2,-3,0)
40.52	2.2262	88.1	(1,2,-3,-2)
42.37	2.1334	27.1	(0,1,-1,2)
42.37	2.1334	27.1	(0,2,-2,1)
42.37	2.1334	27.1	(0,1,-1,-3)
42.37	2.1334	27.1	(0,3,-3,-1)
42.37	2.1334	27.1	(0,2,-2,-3)
42.37	2.1334	27.1	(0,3,-3,-2)
48.38	1.8815	38.8	(0,0,0,3)
48.38	1.8815	38.8	(0,3,-3,0)
48.38	1.8815	38.8	(0,3,-3,-3)
49.59	1.8383	27.0	(1,1,-2,2)
49.59	1.8383	27.0	(1,2,-3,1)

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Energy Properties

Formation Energy/atom

-0.36636

eV/atom

Energy/atom

-7.41614

eV/atom

Energy above Hull

0.0041

eV/atom

Uncorrected Energy

-18.1437

eV/atom

Volume/atom

14.81

Å³

c/a Ratio

1.7994

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

12.2657

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.092050

μB/Å³

Elastic Properties

Elastic data not available

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

1.3609

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.999%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3014

smaller = more stable mixing

VEC

6.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.113

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.592

Family

Mn-rich Multi-Component

Matrix Element

Mn · 0.333

Related Tasks

Related computation task IDs (5)

aaadmigf aaadsmsi aaaelqsb aaaeuaqc aaafcptw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079184

Reference Citation

The crystal structure and related material properties of MnGeRh were obtained from the Materials Project database (MP-ID: mp-1079184, 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_MnGeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62210472
_cell_length_b   6.51755182
_cell_length_c   6.51760099
_cell_angle_alpha   119.99820098
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeRh
_chemical_formula_sum   'Mn3 Ge3 Rh3'
_cell_volume   133.25139629
_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  0.50000000  0.59239698  0.00001536  1.0
  Mn  Mn1  1  0.50000000  0.40760651  0.40764442  1.0
  Mn  Mn2  1  0.50000000  0.99996865  0.59236172  1.0
  Ge  Ge3  1  -0.00000000  0.33331893  0.66667015  1.0
  Ge  Ge4  1  -0.00000000  0.66664628  0.33332488  1.0
  Ge  Ge5  1  0.50000000  -0.00000297  0.99999172  1.0
  Rh  Rh6  1  0.00000000  0.25691107  0.99999848  1.0
  Rh  Rh7  1  0.00000000  0.74306710  0.74307593  1.0
  Rh  Rh8  1  -0.00000000  0.99998545  0.25691535  1.0

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