Zn36Ga5Ni8

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30707 · Space group: P-43m (#215)

Materials Project API

Basic Information

Formula

Zn36Ga5Ni8

MP-ID

mp-30707

Elements

Sites

Density

7.5479

g/cm³

Volume

698.03

Å³

Cell a

8.8707

Cell b

8.8707

Cell c

8.8707

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

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
24.58	3.6215	1.8	(2,1,1)
30.23	2.9569	1.9	(2,2,1)
31.90	2.8052	3.1	(3,1,0)
33.50	2.6746	6.0	(3,1,1)
35.04	2.5608	3.7	(2,2,2)
37.95	2.3708	5.0	(3,2,1)
41.99	2.1515	10.9	(4,1,0)
43.27	2.0909	100.0	(4,1,1)
44.52	2.0351	2.2	(3,3,1)
48.11	1.8912	4.4	(3,3,2)
50.40	1.8107	2.6	(4,2,2)
52.61	1.7397	2.2	(5,1,0)
55.81	1.6473	1.3	(5,2,0)
58.89	1.5681	1.1	(4,4,0)
60.89	1.5213	1.7	(5,3,0)
62.86	1.4785	8.0	(4,4,2)
67.62	1.3854	3.9	(5,4,0)
71.32	1.3224	1.5	(6,3,0)
72.23	1.3079	4.1	(6,3,1)
74.04	1.2804	4.3	(4,4,4)
74.94	1.2672	1.6	(7,0,0)
75.83	1.2545	3.8	(7,1,0)
76.73	1.2422	1.2	(7,1,1)
78.50	1.2185	1.4	(7,2,0)

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Energy Properties

Formation Energy/atom

-0.15614

eV/atom

Energy/atom

-2.33435

eV/atom

Energy above Hull

0.0186

eV/atom

Uncorrected Energy

-2.3344

eV/atom

Volume/atom

14.25

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0079

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.735

Element Family

3d-TM

Solute Fraction

0.265

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7553

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.2796

J/mol·K

Ω Parameter

0.5480

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.833%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1010

smaller = more stable mixing

VEC

10.755

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.419

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6875

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.815

Family

Zn-based Alloy

Matrix Element

Zn · 0.735

Related Tasks

Related computation task IDs (3)

aaacbpka aaacxlzk aaadrxck

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30707

Reference Citation

The crystal structure and related material properties of Zn36Ga5Ni8 were obtained from the Materials Project database (MP-ID: mp-30707, 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_Zn36Ga5Ni8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87071100
_cell_length_b   8.87071100
_cell_length_c   8.87071100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn36Ga5Ni8
_chemical_formula_sum   'Zn36 Ga5 Ni8'
_cell_volume   698.03193428
_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  0.31202600  0.00000000  0.00000000  1.0
  Zn  Zn1  1  0.68797400  0.00000000  0.00000000  1.0
  Zn  Zn2  1  0.00000000  0.00000000  0.31202600  1.0
  Zn  Zn3  1  0.00000000  0.00000000  0.68797400  1.0
  Zn  Zn4  1  0.00000000  0.68797400  0.00000000  1.0
  Zn  Zn5  1  0.00000000  0.31202600  0.00000000  1.0
  Zn  Zn6  1  0.86157000  0.50000000  0.50000000  1.0
  Zn  Zn7  1  0.13843000  0.50000000  0.50000000  1.0
  Zn  Zn8  1  0.50000000  0.50000000  0.86157000  1.0
  Zn  Zn9  1  0.50000000  0.50000000  0.13843000  1.0
  Zn  Zn10  1  0.50000000  0.13843000  0.50000000  1.0
  Zn  Zn11  1  0.50000000  0.86157000  0.50000000  1.0
  Zn  Zn12  1  0.29404600  0.29404600  0.05470100  1.0
  Zn  Zn13  1  0.70595400  0.05470100  0.70595400  1.0
  Zn  Zn14  1  0.70595400  0.94529900  0.29404600  1.0
  Zn  Zn15  1  0.94529900  0.70595400  0.29404600  1.0
  Zn  Zn16  1  0.05470100  0.70595400  0.70595400  1.0
  Zn  Zn17  1  0.29404600  0.70595400  0.94529900  1.0
  Zn  Zn18  1  0.70595400  0.29404600  0.94529900  1.0
  Zn  Zn19  1  0.05470100  0.29404600  0.29404600  1.0
  Zn  Zn20  1  0.29404600  0.05470100  0.29404600  1.0
  Zn  Zn21  1  0.94529900  0.29404600  0.70595400  1.0
  Zn  Zn22  1  0.29404600  0.94529900  0.70595400  1.0
  Zn  Zn23  1  0.70595400  0.70595400  0.05470100  1.0
  Zn  Zn24  1  0.82050000  0.82050000  0.53911000  1.0
  Zn  Zn25  1  0.17950000  0.53911000  0.17950000  1.0
  Zn  Zn26  1  0.17950000  0.46089000  0.82050000  1.0
  Zn  Zn27  1  0.46089000  0.17950000  0.82050000  1.0
  Zn  Zn28  1  0.53911000  0.17950000  0.17950000  1.0
  Zn  Zn29  1  0.82050000  0.17950000  0.46089000  1.0
  Zn  Zn30  1  0.17950000  0.82050000  0.46089000  1.0
  Zn  Zn31  1  0.53911000  0.82050000  0.82050000  1.0
  Zn  Zn32  1  0.82050000  0.53911000  0.82050000  1.0
  Zn  Zn33  1  0.46089000  0.82050000  0.17950000  1.0
  Zn  Zn34  1  0.82050000  0.46089000  0.17950000  1.0
  Zn  Zn35  1  0.17950000  0.17950000  0.53911000  1.0
  Ga  Ga36  1  0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga37  1  0.61539100  0.61539100  0.61539100  1.0
  Ga  Ga38  1  0.38460900  0.61539100  0.38460900  1.0
  Ga  Ga39  1  0.38460900  0.38460900  0.61539100  1.0
  Ga  Ga40  1  0.61539100  0.38460900  0.38460900  1.0
  Ni  Ni41  1  0.33548000  0.33548000  0.33548000  1.0
  Ni  Ni42  1  0.66452000  0.33548000  0.66452000  1.0
  Ni  Ni43  1  0.66452000  0.66452000  0.33548000  1.0
  Ni  Ni44  1  0.33548000  0.66452000  0.66452000  1.0
  Ni  Ni45  1  0.82470800  0.82470800  0.82470800  1.0
  Ni  Ni46  1  0.17529200  0.82470800  0.17529200  1.0
  Ni  Ni47  1  0.17529200  0.17529200  0.82470800  1.0
  Ni  Ni48  1  0.82470800  0.17529200  0.17529200  1.0

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