Pa4ZnCo3Ge4

High-Entropy Materials HEA

MP-ID: mp-3293096 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Pa4ZnCo3Ge4

MP-ID

mp-3293096

Elements

Sites

Density

11.1599

g/cm³

Volume

216.78

Å³

Cell a

4.2280

Cell b

7.0402

Cell c

7.2838

α Angle

90.92

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
17.38	5.1026	2.0	(0,1,-1)
17.66	5.0213	1.2	(0,1,1)
24.34	3.6565	66.0	(1,0,1)
24.44	3.6414	26.7	(0,0,2)
25.30	3.5196	11.9	(0,2,0)
33.12	2.7050	1.9	(1,2,0)
34.78	2.5796	18.0	(1,1,-2)
35.08	2.5583	14.7	(1,1,2)
35.18	2.5513	37.1	(0,2,-2)
35.25	2.5461	100.0	(1,2,-1)
35.55	2.5256	84.5	(1,2,1)
35.76	2.5106	44.4	(0,2,2)
39.05	2.3064	8.3	(0,1,-3)
39.46	2.2837	6.8	(0,1,3)
40.19	2.2439	6.1	(0,3,-1)
40.58	2.2230	4.4	(0,3,1)
42.77	2.1140	45.9	(2,0,0)
42.96	2.1053	69.1	(1,0,3)
45.74	1.9835	1.2	(0,2,3)
49.88	1.8283	8.6	(2,0,2)
50.10	1.8207	1.4	(0,0,4)
50.18	1.8179	1.2	(1,2,-3)
50.35	1.8123	4.4	(2,2,0)
50.85	1.7957	1.5	(1,2,3)

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Energy Properties

Formation Energy/atom

-0.47750

eV/atom

Energy/atom

-34.77127

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.7713

eV/atom

Volume/atom

18.07

Å³

c/a Ratio

1.7227

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6156

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002840

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pa · 0.333

Element Family

Actinide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

19.8973

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.707%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2183

smaller = more stable mixing

VEC

6.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.815

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjlo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293096

Reference Citation

The crystal structure and related material properties of Pa4ZnCo3Ge4 were obtained from the Materials Project database (MP-ID: mp-3293096, 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

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Raw CIF Data

# generated using pymatgen
data_Pa4ZnCo3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22804369
_cell_length_b   7.04014871
_cell_length_c   7.28380887
_cell_angle_alpha   90.92097602
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa4ZnCo3Ge4
_chemical_formula_sum   'Pa4 Zn1 Co3 Ge4'
_cell_volume   216.78225642
_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
  Pa  Pa0  1  0.00000000  0.48736941  0.71312521  1.0
  Pa  Pa1  1  0.00000000  0.99951577  0.77450103  1.0
  Pa  Pa2  1  0.50000000  0.49531996  0.29405947  1.0
  Pa  Pa3  1  0.50000000  0.01956516  0.22115642  1.0
  Zn  Zn4  1  0.00000000  0.71399435  0.08491309  1.0
  Co  Co5  1  0.00000000  0.23597087  0.42269109  1.0
  Co  Co6  1  0.50000000  0.28114248  0.91838354  1.0
  Co  Co7  1  0.50000000  0.76223804  0.57328544  1.0
  Ge  Ge8  1  0.00000000  0.28589305  0.08389037  1.0
  Ge  Ge9  1  0.00000000  0.79596717  0.41709293  1.0
  Ge  Ge10  1  0.50000000  0.71833290  0.90685942  1.0
  Ge  Ge11  1  0.50000000  0.20468884  0.59003898  1.0

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