Sr2Pr(Si3Pd10)2

High-Entropy Materials HEA

MP-ID: mp-3293527 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Sr2Pr(Si3Pd10)2

MP-ID

mp-3293527

Elements

Sites

Density

9.1793

g/cm³

Volume

472.70

Å³

Cell a

8.7438

Cell b

8.7438

Cell c

8.7438

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
14.33	6.1828	2.9	(1,1,0)
20.31	4.3719	1.4	(1,0,-1)
23.87	3.7284	3.8	(2,1,0)
24.94	3.5697	1.1	(0,0,2)
24.94	3.5697	3.4	(2,0,0)
28.88	3.0914	2.5	(2,2,0)
32.38	2.7650	2.3	(1,-1,-2)
32.38	2.7650	24.9	(2,1,-1)
35.57	2.5241	36.8	(3,1,0)
37.80	2.3798	71.8	(3,0,0)
37.80	2.3798	100.0	(3,2,0)
41.30	2.1860	33.5	(2,0,-2)
41.30	2.1860	6.7	(2,4,2)
43.29	2.0902	29.0	(3,1,-1)
43.29	2.0902	12.0	(4,2,1)
43.93	2.0609	22.8	(3,0,-1)
46.44	1.9552	1.4	(3,2,-1)
48.26	1.8857	2.5	(4,1,0)
48.86	1.8642	12.5	(4,2,0)
48.86	1.8642	1.1	(4,4,2)
52.88	1.7315	2.1	(3,3,-1)
53.43	1.7148	7.0	(3,1,-2)
53.43	1.7148	2.3	(5,3,2)
59.83	1.5457	6.1	(4,4,0)

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Energy Properties

Formation Energy/atom

-0.73254

eV/atom

Energy/atom

-20.44106

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.4411

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

0.0015

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

0.8828

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.3393

J/mol·K

Ω Parameter

1.2272

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.976%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3627

smaller = more stable mixing

VEC

7.966

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.309

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6368

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkcd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293527

Reference Citation

The crystal structure and related material properties of Sr2Pr(Si3Pd10)2 were obtained from the Materials Project database (MP-ID: mp-3293527, 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_Sr2Pr(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74381316
_cell_length_b   8.74381303
_cell_length_c   8.74381345
_cell_angle_alpha   60.00000212
_cell_angle_beta   60.00000258
_cell_angle_gamma   60.00000340
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Pr(Si3Pd10)2
_chemical_formula_sum   'Sr2 Pr1 Si6 Pd20'
_cell_volume   472.70222211
_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
  Pr  Pr2  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si3  1  0.73157830  0.26842170  0.26842170  1.0
  Si  Si4  1  0.26842170  0.73157830  0.73157830  1.0
  Si  Si5  1  0.26842170  0.73157830  0.26842170  1.0
  Si  Si6  1  0.73157830  0.26842170  0.73157830  1.0
  Si  Si7  1  0.26842170  0.26842170  0.73157830  1.0
  Si  Si8  1  0.73157830  0.73157830  0.26842170  1.0
  Pd  Pd9  1  0.38698222  0.38698222  0.38698222  1.0
  Pd  Pd10  1  0.61301778  0.61301778  0.61301778  1.0
  Pd  Pd11  1  0.38698222  0.38698222  0.83905434  1.0
  Pd  Pd12  1  0.38698222  0.83905434  0.38698222  1.0
  Pd  Pd13  1  0.61301778  0.61301778  0.16094566  1.0
  Pd  Pd14  1  0.61301778  0.16094566  0.61301778  1.0
  Pd  Pd15  1  0.83905434  0.38698222  0.38698222  1.0
  Pd  Pd16  1  0.16094566  0.61301778  0.61301778  1.0
  Pd  Pd17  1  0.34588022  0.00000000  0.00000000  1.0
  Pd  Pd18  1  0.65411978  1.00000000  0.00000000  1.0
  Pd  Pd19  1  0.00000000  0.34588022  0.65411978  1.0
  Pd  Pd20  1  1.00000000  0.65411978  0.34588022  1.0
  Pd  Pd21  1  0.00000000  0.34588022  1.00000000  1.0
  Pd  Pd22  1  0.65411978  1.00000000  0.34588022  1.0
  Pd  Pd23  1  1.00000000  0.65411978  0.00000000  1.0
  Pd  Pd24  1  0.34588022  0.00000000  0.65411978  1.0
  Pd  Pd25  1  0.00000000  0.00000000  0.34588022  1.0
  Pd  Pd26  1  1.00000000  1.00000000  0.65411978  1.0
  Pd  Pd27  1  0.65411978  0.34588022  1.00000000  1.0
  Pd  Pd28  1  0.34588022  0.65411978  0.00000000  1.0

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