Pr2(Zn2Ge)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-11666 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

Pr2(Zn2Ge)3

MP-ID

mp-11666

Elements

Sites

Density

7.1781

g/cm³

Volume

206.39

Å³

Cell a

7.6203

Cell b

7.6203

Cell c

4.1041

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
23.35	3.8102	10.1	(2,-1,-1,0)
27.02	3.2997	9.8	(2,0,-2,0)
32.05	2.7923	50.0	(1,-2,1,1)
32.05	2.7923	100.0	(2,-1,-1,1)
34.89	2.5716	19.6	(2,0,-2,1)
36.01	2.4943	21.2	(3,-2,-1,0)
36.01	2.4943	10.6	(3,-1,-2,0)
41.03	2.1998	49.2	(3,0,-3,0)
42.41	2.1315	38.6	(2,-3,1,1)
42.41	2.1315	38.6	(3,-1,-2,1)
44.13	2.0521	36.7	(0,0,0,2)
46.86	1.9388	2.7	(3,0,-3,1)
47.74	1.9051	1.6	(4,-2,-2,0)
49.82	1.8303	9.4	(3,-4,1,0)
49.82	1.8303	9.4	(4,-1,-3,0)
50.52	1.8067	2.6	(2,-1,-1,2)
52.51	1.7426	3.1	(2,0,-2,2)
52.99	1.7280	7.2	(2,-4,2,1)
52.99	1.7280	14.4	(4,-2,-2,1)
54.93	1.6716	8.1	(4,-1,-3,1)
58.22	1.5847	7.7	(2,-3,1,2)
58.22	1.5847	7.7	(3,-1,-2,2)
60.48	1.5308	1.3	(4,-4,0,1)
61.22	1.5140	1.8	(3,-5,2,0)

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Energy Properties

Formation Energy/atom

-0.42068

eV/atom

Energy/atom

-3.24054

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.4711

eV/atom

Volume/atom

18.76

Å³

c/a Ratio

0.5386

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Zn · 0.545

Element Family

3d-TM

Solute Fraction

0.455

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9949

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2718

J/mol·K

Ω Parameter

0.8206

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.039%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2907

smaller = more stable mixing

VEC

8.182

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.353

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9056

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.673

Family

Zn-based Alloy

Matrix Element

Zn · 0.545

Related Tasks

Related computation task IDs (5)

aaadnduh aaadsmqk aaaemfur aaaerhbs aaafwzlp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-11666

Reference Citation

The crystal structure and related material properties of Pr2(Zn2Ge)3 were obtained from the Materials Project database (MP-ID: mp-11666, 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_Pr2(Zn2Ge)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62030747
_cell_length_b   7.62030807
_cell_length_c   4.10410541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000176
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2(Zn2Ge)3
_chemical_formula_sum   'Pr2 Zn6 Ge3'
_cell_volume   206.39261566
_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
  Pr  Pr0  1  0.66666700  0.33333300  0.00000000  1.0
  Pr  Pr1  1  0.33333300  0.66666700  0.00000000  1.0
  Zn  Zn2  1  0.71106641  1.00000000  0.50000000  1.0
  Zn  Zn3  1  0.00000000  0.71106641  0.50000000  1.0
  Zn  Zn4  1  0.18818630  0.00000000  0.00000000  1.0
  Zn  Zn5  1  0.81181370  0.81181370  0.00000000  1.0
  Zn  Zn6  1  0.28893359  0.28893359  0.50000000  1.0
  Zn  Zn7  1  1.00000000  0.18818630  0.00000000  1.0
  Ge  Ge8  1  0.37916410  0.00000000  0.50000000  1.0
  Ge  Ge9  1  0.62083590  0.62083590  0.50000000  1.0
  Ge  Ge10  1  1.00000000  0.37916410  0.50000000  1.0

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