SrZn4Ni9

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292730 · Space group: I4/mcm (#140)

Materials Project API

Basic Information

Formula

SrZn4Ni9

MP-ID

mp-3292730

Elements

Sites

Density

7.9037

g/cm³

Volume

368.72

Å³

Cell a

8.0656

Cell b

8.0656

Cell c

8.0656

α Angle

120.40

β Angle

120.40

γ Angle

89.30

Space Group

I4/mcm

Point Group

4/mmm

Crystal System

Tetragonal

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
15.44	5.7378	14.8	(1,1,-1)
15.63	5.6684	19.2	(1,-1,0)
15.63	5.6684	19.2	(0,0,1)
27.14	3.2859	2.4	(0,2,0)
27.14	3.2859	7.1	(2,0,-2)
31.57	2.8342	9.1	(2,-2,0)
34.28	2.6158	1.4	(3,0,-1)
35.06	2.5597	27.6	(3,1,-2)
35.32	2.5411	12.3	(3,-1,-1)
35.32	2.5411	12.3	(1,1,1)
35.41	2.5350	19.9	(2,-2,1)
38.59	2.3329	59.0	(3,1,-1)
38.84	2.3188	12.3	(1,-3,0)
38.84	2.3188	85.8	(3,-1,-2)
44.96	2.0162	6.2	(4,0,-2)
45.25	2.0041	1.2	(2,-2,2)
47.01	1.9330	9.6	(1,4,-2)
47.01	1.9330	67.5	(4,1,-3)
47.29	1.9222	100.0	(4,-1,-1)
47.43	1.9169	98.3	(3,-2,1)
47.54	1.9126	16.1	(3,3,-3)
47.89	1.8997	12.4	(4,0,-1)
47.89	1.8997	12.4	(3,1,0)
48.09	1.8920	9.4	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.15598

eV/atom

Energy/atom

-11.48623

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.4862

eV/atom

Volume/atom

13.17

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.8009

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010310

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.643

Element Family

3d-TM

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8305

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.9045

J/mol·K

Ω Parameter

1.4449

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.590%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2544

smaller = more stable mixing

VEC

10.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.612

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7559

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.778

Family

Ni-based Alloy

Matrix Element

Ni · 0.643

Related Tasks

Related computation task IDs (1)

aaahfixm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292730

Reference Citation

The crystal structure and related material properties of SrZn4Ni9 were obtained from the Materials Project database (MP-ID: mp-3292730, 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_SrZn4Ni9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06556134
_cell_length_b   8.06556143
_cell_length_c   8.06556099
_cell_angle_alpha   120.40363164
_cell_angle_beta   120.40363275
_cell_angle_gamma   89.30230057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn4Ni9
_chemical_formula_sum   'Sr2 Zn8 Ni18'
_cell_volume   368.71955393
_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
  Sr  Sr0  1  0.75000000  0.75000000  0.00000000  1.0
  Sr  Sr1  1  0.25000000  0.25000000  0.00000000  1.0
  Zn  Zn2  1  0.06072698  0.56072698  0.86388977  1.0
  Zn  Zn3  1  0.69683720  0.19683720  0.13611023  1.0
  Zn  Zn4  1  0.56072698  0.69683720  0.50000000  1.0
  Zn  Zn5  1  0.19683720  0.06072698  0.50000000  1.0
  Zn  Zn6  1  0.93927302  0.43927302  0.13611023  1.0
  Zn  Zn7  1  0.30316280  0.80316280  0.86388977  1.0
  Zn  Zn8  1  0.43927302  0.30316280  0.50000000  1.0
  Zn  Zn9  1  0.80316280  0.93927302  0.50000000  1.0
  Ni  Ni10  1  0.06301876  0.20468814  0.26770590  1.0
  Ni  Ni11  1  0.93698124  0.79531186  0.73229410  1.0
  Ni  Ni12  1  0.56301876  0.29531186  0.85833162  1.0
  Ni  Ni13  1  0.43698124  0.70468814  0.14166838  1.0
  Ni  Ni14  1  0.79531186  0.06301876  0.85833162  1.0
  Ni  Ni15  1  0.20468814  0.93698124  0.14166838  1.0
  Ni  Ni16  1  0.70468814  0.56301876  0.26770590  1.0
  Ni  Ni17  1  0.29531186  0.43698124  0.73229410  1.0
  Ni  Ni18  1  0.43526156  0.93526156  0.72182147  1.0
  Ni  Ni19  1  0.21344009  0.71344009  0.27817853  1.0
  Ni  Ni20  1  0.93526156  0.21344009  0.50000000  1.0
  Ni  Ni21  1  0.71344009  0.43526156  0.50000000  1.0
  Ni  Ni22  1  0.56473844  0.06473844  0.27817853  1.0
  Ni  Ni23  1  0.78655991  0.28655991  0.72182147  1.0
  Ni  Ni24  1  0.06473844  0.78655991  0.50000000  1.0
  Ni  Ni25  1  0.28655991  0.56473844  0.50000000  1.0
  Ni  Ni26  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni27  1  0.50000000  0.00000000  0.50000000  1.0

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