SrSmSi3Pt

High-Entropy Materials HEA

MP-ID: mp-3252390 · Space group: Fmmm (#69)

Materials Project API

Basic Information

Formula

SrSmSi3Pt

MP-ID

mp-3252390

Elements

Sites

Density

6.6807

g/cm³

Volume

257.17

Å³

Cell a

6.0085

Cell b

6.0085

Cell c

8.2430

α Angle

110.12

β Angle

110.12

γ Angle

93.23

Space Group

Fmmm

Point Group

mmm

Crystal System

Orthorhombic

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
16.03	5.5303	22.7	(1,0,-1)
16.03	5.5300	22.5	(1,0,0)
20.34	4.3667	2.0	(1,-1,0)
21.53	4.1273	44.4	(1,1,-1)
23.87	3.7273	37.6	(1,0,-2)
23.88	3.7269	37.5	(1,0,1)
23.89	3.7245	24.8	(1,-1,1)
24.92	3.5728	7.2	(1,1,-2)
24.93	3.5724	7.1	(1,1,0)
24.96	3.5673	4.6	(0,0,2)
29.79	2.9995	8.3	(2,0,-1)
32.38	2.7652	89.6	(2,0,-2)
32.38	2.7650	89.8	(2,0,0)
32.41	2.7626	100.0	(1,-1,2)
33.23	2.6960	5.3	(2,-1,-1)
33.23	2.6959	5.3	(2,-1,0)
34.76	2.5811	3.9	(2,1,-2)
34.76	2.5810	3.8	(2,1,-1)
34.81	2.5772	1.9	(1,0,-3)
34.81	2.5770	1.9	(1,0,2)
37.83	2.3782	10.7	(0,0,3)
37.84	2.3778	10.2	(2,-1,-2)
37.84	2.3777	10.3	(2,-1,1)
39.20	2.2979	10.7	(2,1,-3)

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Energy Properties

Formation Energy/atom

-0.94383

eV/atom

Energy/atom

-21.39176

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.3918

eV/atom

Volume/atom

21.43

Å³

c/a Ratio

1.3719

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2425

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3298

J/mol·K

Ω Parameter

2.9447

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.436%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4651

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.553

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8962

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdbfy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252390

Reference Citation

The crystal structure and related material properties of SrSmSi3Pt were obtained from the Materials Project database (MP-ID: mp-3252390, 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_SrSmSi3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00852121
_cell_length_b   6.00852091
_cell_length_c   8.24295167
_cell_angle_alpha   110.12208868
_cell_angle_beta   110.12208706
_cell_angle_gamma   93.22834600
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSmSi3Pt
_chemical_formula_sum   'Sr2 Sm2 Si6 Pt2'
_cell_volume   257.16930811
_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  0.75003182  0.24996713  0.49999990  1.0
  Sr  Sr1  1  0.24996713  0.75003182  0.49999990  1.0
  Sm  Sm2  1  0.75300723  0.24699225  0.00000034  1.0
  Sm  Sm3  1  0.24699225  0.75300723  0.00000034  1.0
  Si  Si4  1  0.33015433  0.33015433  0.16421827  1.0
  Si  Si5  1  0.83411675  0.83411675  0.16406047  1.0
  Si  Si6  1  0.16605999  0.16605999  0.33202346  1.0
  Si  Si7  1  0.83393981  0.83393981  0.66797745  1.0
  Si  Si8  1  0.16588289  0.16588289  0.83593977  1.0
  Si  Si9  1  0.66984508  0.66984508  0.83578200  1.0
  Pt  Pt10  1  0.66305446  0.66305446  0.32587028  1.0
  Pt  Pt11  1  0.33694524  0.33694524  0.67413082  1.0

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