Zn24PtAu7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292926 · Space group: Pm-3 (#200)

Materials Project API

Basic Information

Formula

Zn24PtAu7

MP-ID

mp-3292926

Elements

Sites

Density

10.8289

g/cm³

Volume

482.06

Å³

Cell a

7.8409

Cell b

7.8409

Cell c

7.8409

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3

Point Group

m-3

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.5236

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
22.68	3.9205	14.7	(2,0,0)
25.40	3.5066	29.1	(2,1,0)
27.87	3.2010	26.8	(2,1,1)
32.29	2.7722	9.1	(2,2,0)
36.23	2.4795	1.8	(3,1,0)
41.53	2.1747	100.0	(3,2,0)
43.17	2.0956	63.2	(3,2,1)
46.32	1.9602	25.1	(4,0,0)
47.83	1.9017	5.1	(4,1,0)
49.31	1.8481	3.5	(4,1,1)
52.17	1.7533	3.6	(4,2,0)
53.56	1.7110	6.6	(4,2,1)
54.92	1.6717	5.4	(3,3,2)
57.59	1.6005	1.7	(4,2,2)
63.94	1.4560	16.8	(4,3,2)
65.17	1.4316	5.8	(5,2,1)
67.58	1.3861	7.4	(4,4,0)
69.96	1.3447	5.4	(4,3,3)
71.14	1.3254	1.3	(5,3,1)
72.30	1.3068	11.0	(4,4,2)
73.46	1.2890	5.0	(6,1,0)
74.61	1.2720	22.5	(6,1,1)
78.03	1.2246	2.9	(4,4,3)
81.41	1.1821	5.8	(6,2,2)

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Energy Properties

Formation Energy/atom

-0.21500

eV/atom

Energy/atom

-19.57240

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.5724

eV/atom

Volume/atom

15.06

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0013

μB

Mag. Ordering

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 · 0.750

Element Family

3d-TM

Solute Fraction

0.250

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6565

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.4584

J/mol·K

Ω Parameter

0.2719

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.039%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3738

smaller = more stable mixing

VEC

11.719

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.582

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5976

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.855

Family

Zn-based Alloy

Matrix Element

Zn · 0.750

Related Tasks

Related computation task IDs (1)

aaahfjfa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292926

Reference Citation

The crystal structure and related material properties of Zn24PtAu7 were obtained from the Materials Project database (MP-ID: mp-3292926, 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_Zn24PtAu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84091934
_cell_length_b   7.84091934
_cell_length_c   7.84091934
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn24PtAu7
_chemical_formula_sum   'Zn24 Pt1 Au7'
_cell_volume   482.05984781
_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
  Zn  Zn0  1  0.50000000  0.20541230  0.33706408  1.0
  Zn  Zn1  1  0.50000000  0.79458770  0.66293592  1.0
  Zn  Zn2  1  0.20541230  0.33706408  0.50000000  1.0
  Zn  Zn3  1  0.79458770  0.33706408  0.50000000  1.0
  Zn  Zn4  1  0.33706408  0.50000000  0.20541230  1.0
  Zn  Zn5  1  0.66293592  0.50000000  0.20541230  1.0
  Zn  Zn6  1  0.00000000  0.83501873  0.30109991  1.0
  Zn  Zn7  1  0.00000000  0.16498127  0.69890009  1.0
  Zn  Zn8  1  0.00000000  0.16498127  0.30109991  1.0
  Zn  Zn9  1  0.50000000  0.20541230  0.66293592  1.0
  Zn  Zn10  1  0.50000000  0.79458770  0.33706408  1.0
  Zn  Zn11  1  0.79458770  0.66293592  0.50000000  1.0
  Zn  Zn12  1  0.20541230  0.66293592  0.50000000  1.0
  Zn  Zn13  1  0.33706408  0.50000000  0.79458770  1.0
  Zn  Zn14  1  0.66293592  0.50000000  0.79458770  1.0
  Zn  Zn15  1  0.30109991  0.00000000  0.16498127  1.0
  Zn  Zn16  1  0.16498127  0.30109991  0.00000000  1.0
  Zn  Zn17  1  0.83501873  0.69890009  0.00000000  1.0
  Zn  Zn18  1  0.30109991  0.00000000  0.83501873  1.0
  Zn  Zn19  1  0.83501873  0.30109991  0.00000000  1.0
  Zn  Zn20  1  0.69890009  0.00000000  0.16498127  1.0
  Zn  Zn21  1  0.69890009  0.00000000  0.83501873  1.0
  Zn  Zn22  1  0.16498127  0.69890009  0.00000000  1.0
  Zn  Zn23  1  0.00000000  0.83501873  0.69890009  1.0
  Pt  Pt24  1  0.50000000  0.50000000  0.50000000  1.0
  Au  Au25  1  0.50000000  0.24880969  0.00000000  1.0
  Au  Au26  1  0.50000000  0.75119031  0.00000000  1.0
  Au  Au27  1  0.00000000  0.50000000  0.75119031  1.0
  Au  Au28  1  0.00000000  0.50000000  0.24880969  1.0
  Au  Au29  1  0.75119031  0.00000000  0.50000000  1.0
  Au  Au30  1  0.24880969  0.00000000  0.50000000  1.0
  Au  Au31  1  0.00000000  0.00000000  0.00000000  1.0

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