Pr2Ge5Rh3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-975634 · Space group: Ibam (#72)

Materials Project API

Basic Information

Formula

Pr2Ge5Rh3

MP-ID

mp-975634

Elements

Sites

Density

8.5506

g/cm³

Volume

370.43

Å³

Cell a

8.4345

Cell b

8.4344

Cell c

8.4333

α Angle

137.77

β Angle

106.33

γ Angle

88.76

Space Group

Ibam

Point Group

mmm

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
17.54	5.0561	2.5	(1,-1,1)
23.82	3.7348	6.5	(2,1,-1)
23.83	3.7346	6.4	(1,2,-2)
27.48	3.2463	1.4	(2,-1,1)
27.48	3.2461	1.4	(1,-2,2)
29.40	3.0384	32.7	(1,-1,-1)
29.64	3.0141	28.6	(2,2,-2)
31.63	2.8288	3.7	(1,-2,0)
31.63	2.8287	3.7	(2,-1,-1)
31.63	2.8287	3.7	(0,1,1)
31.63	2.8284	3.6	(1,0,-2)
32.03	2.7940	1.4	(2,1,0)
32.03	2.7940	1.4	(0,3,-2)
32.03	2.7939	1.4	(3,0,-1)
32.04	2.7935	1.4	(1,2,-3)
33.85	2.6482	51.7	(3,-1,0)
33.85	2.6481	51.8	(1,-3,2)
33.85	2.6480	51.9	(2,0,1)
33.86	2.6477	51.9	(0,2,-3)
34.37	2.6090	1.3	(2,2,-1)
34.37	2.6089	1.2	(1,3,-2)
34.38	2.6088	1.2	(3,1,-2)
34.38	2.6086	1.2	(2,2,-3)
34.43	2.6045	84.3	(2,-2,0)

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Energy Properties

Formation Energy/atom

-0.81326

eV/atom

Energy/atom

-6.29316

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.9290

eV/atom

Volume/atom

18.52

Å³

c/a Ratio

0.9999

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.4971

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001340

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5605

J/mol·K

Ω Parameter

10.0725

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.452%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4095

smaller = more stable mixing

VEC

5.300

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.290

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9372

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.480

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadnkcc aaadregj aaaetksn aaafbosx aaagaaao

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-975634

Reference Citation

The crystal structure and related material properties of Pr2Ge5Rh3 were obtained from the Materials Project database (MP-ID: mp-975634, 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_Pr2Ge5Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43448101
_cell_length_b   8.43441637
_cell_length_c   8.43327747
_cell_angle_alpha   137.76750599
_cell_angle_beta   106.33285253
_cell_angle_gamma   88.75928526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2Ge5Rh3
_chemical_formula_sum   'Pr4 Ge10 Rh6'
_cell_volume   370.43160226
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.86365785  0.63242308  0.23138864  1.0
  Pr  Pr1  1  0.13633912  0.36757713  0.76860856  1.0
  Pr  Pr2  1  0.59890253  0.86773902  0.73142709  1.0
  Pr  Pr3  1  0.40110090  0.13226132  0.26857683  1.0
  Ge  Ge4  1  0.49995441  0.74983158  0.24982139  1.0
  Ge  Ge5  1  0.50004630  0.25016835  0.75017918  1.0
  Ge  Ge6  1  0.22426596  0.97444107  0.75009058  1.0
  Ge  Ge7  1  0.77566173  0.52556640  0.75005343  1.0
  Ge  Ge8  1  0.77573260  0.02555801  0.24991002  1.0
  Ge  Ge9  1  0.22433705  0.47443177  0.24994613  1.0
  Ge  Ge10  1  0.05707922  0.89930587  0.15755144  1.0
  Ge  Ge11  1  0.94291741  0.10069381  0.84244508  1.0
  Ge  Ge12  1  0.25839461  0.60061597  0.65761063  1.0
  Ge  Ge13  1  0.74160975  0.39938471  0.34239413  1.0
  Rh  Rh14  1  0.25267119  0.86008245  0.39299312  1.0
  Rh  Rh15  1  0.74733025  0.13991706  0.60700655  1.0
  Rh  Rh16  1  0.53293094  0.64009812  0.89275084  1.0
  Rh  Rh17  1  0.46706942  0.35990314  0.10724776  1.0
  Rh  Rh18  1  0.00004757  0.74989420  0.74989539  1.0
  Rh  Rh19  1  -0.00004882  0.25010495  0.25010422  1.0

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