Sr3(Si3Pd10)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294283 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Sr3(Si3Pd10)2

MP-ID

mp-3294283

Elements

Sites

Density

8.9942

g/cm³

Volume

472.60

Å³

Cell a

8.7432

Cell b

8.7432

Cell c

8.7432

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
20.31	4.3716	1.5	(1,-1,0)
20.31	4.3716	1.5	(1,0,-1)
24.95	3.5694	2.1	(2,0,0)
28.88	3.0912	2.6	(2,2,0)
32.38	2.7648	4.2	(2,-1,1)
32.38	2.7648	21.1	(3,2,1)
35.57	2.5239	16.4	(3,1,0)
35.57	2.5239	5.5	(1,1,-2)
37.81	2.3796	100.0	(3,0,0)
37.81	2.3796	14.9	(0,0,3)
41.30	2.1858	4.4	(2,-2,0)
41.30	2.1858	22.2	(4,2,2)
43.29	2.0900	36.4	(3,1,-1)
43.94	2.0608	13.5	(3,0,-1)
48.86	1.8641	12.1	(4,2,0)
53.44	1.7147	5.8	(3,1,-2)
59.84	1.5456	3.8	(4,4,0)
61.37	1.5106	1.3	(5,2,0)
61.88	1.4994	7.3	(5,1,0)
61.88	1.4994	1.1	(1,0,5)
63.88	1.4572	15.2	(3,-3,0)
63.88	1.4572	13.9	(5,2,5)
65.36	1.4278	10.2	(4,1,-2)
65.36	1.4278	4.2	(3,1,-3)

Get direct link

Energy Properties

Formation Energy/atom

-0.69300

eV/atom

Energy/atom

-19.90985

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.9099

eV/atom

Volume/atom

16.30

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0016

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

Pd · 0.690

Element Family

4d-TM

Solute Fraction

0.310

Interstitial Fraction

0.207

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8169

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.7918

J/mol·K

Ω Parameter

1.1321

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.844%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3790

smaller = more stable mixing

VEC

7.931

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.309

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7436

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Interstitial Alloy

Matrix Element

Pd · 0.690

Related Tasks

Related computation task IDs (1)

aaahflff

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294283

Reference Citation

The crystal structure and related material properties of Sr3(Si3Pd10)2 were obtained from the Materials Project database (MP-ID: mp-3294283, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Sr3(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74315908
_cell_length_b   8.74315916
_cell_length_c   8.74315841
_cell_angle_alpha   59.99999917
_cell_angle_beta   59.99999886
_cell_angle_gamma   60.00000168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3(Si3Pd10)2
_chemical_formula_sum   'Sr3 Si6 Pd20'
_cell_volume   472.59607786
_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  0.25000000  0.25000000  0.25000000  1.0
  Sr  Sr1  1  0.75000000  0.75000000  0.75000000  1.0
  Sr  Sr2  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si3  1  0.73178663  0.26821337  0.26821337  1.0
  Si  Si4  1  0.26821337  0.73178663  0.73178663  1.0
  Si  Si5  1  0.26821337  0.73178663  0.26821337  1.0
  Si  Si6  1  0.73178663  0.26821337  0.73178663  1.0
  Si  Si7  1  0.26821337  0.26821337  0.73178663  1.0
  Si  Si8  1  0.73178663  0.73178663  0.26821337  1.0
  Pd  Pd9  1  0.38714476  0.38714476  0.38714476  1.0
  Pd  Pd10  1  0.61285524  0.61285524  0.61285524  1.0
  Pd  Pd11  1  0.38714476  0.38714476  0.83856773  1.0
  Pd  Pd12  1  0.38714476  0.83856773  0.38714476  1.0
  Pd  Pd13  1  0.61285524  0.61285524  0.16143227  1.0
  Pd  Pd14  1  0.61285524  0.16143227  0.61285524  1.0
  Pd  Pd15  1  0.83856773  0.38714476  0.38714476  1.0
  Pd  Pd16  1  0.16143227  0.61285524  0.61285524  1.0
  Pd  Pd17  1  0.34683248  0.00000000  0.00000000  1.0
  Pd  Pd18  1  0.65316752  1.00000000  1.00000000  1.0
  Pd  Pd19  1  0.00000000  0.34683248  0.65316752  1.0
  Pd  Pd20  1  1.00000000  0.65316752  0.34683248  1.0
  Pd  Pd21  1  0.00000000  0.34683248  0.00000000  1.0
  Pd  Pd22  1  0.65316752  1.00000000  0.34683248  1.0
  Pd  Pd23  1  1.00000000  0.65316752  1.00000000  1.0
  Pd  Pd24  1  0.34683248  0.00000000  0.65316752  1.0
  Pd  Pd25  1  1.00000000  1.00000000  0.34683248  1.0
  Pd  Pd26  1  0.00000000  0.00000000  0.65316752  1.0
  Pd  Pd27  1  0.65316752  0.34683248  0.00000000  1.0
  Pd  Pd28  1  0.34683248  0.65316752  1.00000000  1.0

Get direct link