Sr4Si4Ni3Pt

High-Entropy Materials HEA

MP-ID: mp-3294848 · Space group: R3 (#146)

Materials Project API

Basic Information

Formula

Sr4Si4Ni3Pt

MP-ID

mp-3294848

Elements

Sites

Density

5.4155

g/cm³

Volume

255.72

Å³

Cell a

6.3473

Cell b

6.3473

Cell c

6.3473

α Angle

89.86

β Angle

89.86

γ Angle

90.14

Space Group

Point Group

Crystal System

Trigonal

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
13.95	6.3473	29.9	(1,0,0)
19.76	4.4937	15.8	(1,0,1)
19.81	4.4828	17.1	(1,1,0)
24.27	3.6676	38.1	(1,1,1)
28.12	3.1737	7.5	(2,0,0)
31.49	2.8413	75.3	(2,0,1)
31.55	2.8359	100.0	(2,1,0)
34.57	2.5944	56.9	(2,-1,1)
34.60	2.5923	66.7	(2,1,1)
34.69	2.5861	49.8	(2,1,-1)
40.13	2.2468	6.3	(2,0,2)
40.23	2.2414	1.5	(2,2,0)
42.69	2.1180	11.3	(2,1,2)
42.74	2.1158	10.4	(3,0,0)
42.83	2.1112	9.7	(2,2,-1)
45.14	2.0087	6.9	(3,0,1)
45.21	2.0057	12.4	(3,1,0)
47.45	1.9159	6.9	(3,-1,1)
47.50	1.9142	21.4	(3,1,1)
47.59	1.9109	1.7	(3,1,-1)
51.88	1.7624	9.6	(3,0,2)
52.00	1.7585	6.7	(3,2,0)
53.99	1.6984	30.4	(3,-1,2)
54.01	1.6979	19.9	(3,1,2)

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Energy Properties

Formation Energy/atom

-0.67034

eV/atom

Energy/atom

-15.92956

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.9296

eV/atom

Volume/atom

21.31

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0022

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

Sr · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.333

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

1.0379

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

24.988%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4828

smaller = more stable mixing

VEC

5.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.601

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmay

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294848

Reference Citation

The crystal structure and related material properties of Sr4Si4Ni3Pt were obtained from the Materials Project database (MP-ID: mp-3294848, 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_Sr4Si4Ni3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34733512
_cell_length_b   6.34733512
_cell_length_c   6.34733512
_cell_angle_alpha   89.86198669
_cell_angle_beta   89.86198669
_cell_angle_gamma   90.13801331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Si4Ni3Pt
_chemical_formula_sum   'Sr4 Si4 Ni3 Pt1'
_cell_volume   255.72341731
_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
  Sr  Sr0  1  0.13760603  0.13610054  0.13790496  1.0
  Sr  Sr1  1  0.86209504  0.63760603  0.36389946  1.0
  Sr  Sr2  1  0.36464749  0.86464749  0.63535251  1.0
  Sr  Sr3  1  0.63610054  0.36209504  0.86239397  1.0
  Si  Si4  1  0.35597420  0.65552126  0.16502188  1.0
  Si  Si5  1  0.65473299  0.15473299  0.34526701  1.0
  Si  Si6  1  0.15552126  0.33497812  0.64402580  1.0
  Si  Si7  1  0.83497812  0.85597420  0.84447874  1.0
  Ni  Ni8  1  0.59237695  0.91141296  0.09657457  1.0
  Ni  Ni9  1  0.41141296  0.40342543  0.40762305  1.0
  Ni  Ni10  1  0.90342543  0.09237695  0.58858704  1.0
  Pt  Pt11  1  0.09112999  0.59112999  0.90887001  1.0

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