SrPa5(AlPt)6

High-Entropy Materials HEA

MP-ID: mp-3296387 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrPa5(AlPt)6

MP-ID

mp-3296387

Elements

Sites

Density

11.8083

g/cm³

Volume

362.14

Å³

Cell a

7.1226

Cell b

7.0955

Cell c

8.2969

α Angle

90.00

β Angle

90.00

γ Angle

120.27

Space Group

Amm2

Point Group

mm2

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
10.66	8.2969	7.7	(0,0,1)
14.37	6.1651	33.5	(1,-1,0)
14.40	6.1513	3.2	(1,0,0)
14.45	6.1279	4.3	(0,1,0)
17.93	4.9485	2.9	(1,-1,1)
17.95	4.9414	4.5	(1,0,1)
18.00	4.9292	4.8	(0,1,1)
21.42	4.1485	26.9	(0,0,2)
25.00	3.5613	35.3	(2,-1,0)
25.10	3.5477	35.6	(1,-2,0)
25.16	3.5398	24.4	(1,1,0)
25.89	3.4418	6.2	(1,-1,2)
25.91	3.4394	15.2	(1,0,2)
25.94	3.4353	15.8	(0,1,2)
27.25	3.2726	1.8	(2,-1,1)
27.34	3.2620	1.1	(1,-2,1)
27.39	3.2559	1.1	(1,1,1)
28.97	3.0825	24.1	(2,-2,0)
29.03	3.0757	15.0	(2,0,0)
29.15	3.0640	17.6	(0,2,0)
33.15	2.7022	52.5	(2,-1,2)
33.23	2.6962	46.3	(1,-2,2)
33.27	2.6928	70.8	(1,1,2)
35.58	2.5234	1.2	(1,-1,3)

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Energy Properties

Formation Energy/atom

-0.96237

eV/atom

Energy/atom

-42.55930

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.5593

eV/atom

Volume/atom

20.12

Å³

c/a Ratio

1.1649

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.6751

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.007390

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.333

Element Family

PostTransition-Noble

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2488

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3825

J/mol·K

Ω Parameter

0.8105

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.203%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3909

smaller = more stable mixing

VEC

6.154

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-20.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9008

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoid

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296387

Reference Citation

The crystal structure and related material properties of SrPa5(AlPt)6 were obtained from the Materials Project database (MP-ID: mp-3296387, 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_SrPa5(AlPt)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12264484
_cell_length_b   7.09553900
_cell_length_c   8.29692005
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.27350668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPa5(AlPt)6
_chemical_formula_sum   'Sr1 Pa5 Al6 Pt6'
_cell_volume   362.13514745
_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  0.42144401  0.42177540  0.25000000  1.0
  Pa  Pa1  1  0.00008957  0.57674682  0.75000000  1.0
  Pa  Pa2  1  0.00151941  0.57736586  0.25000000  1.0
  Pa  Pa3  1  0.57843804  0.00184472  0.25000000  1.0
  Pa  Pa4  1  0.58426791  0.00127007  0.75000000  1.0
  Pa  Pa5  1  0.42130690  0.42480228  0.75000000  1.0
  Al  Al6  1  0.99991635  0.23257560  0.49823632  1.0
  Al  Al7  1  0.76140131  0.76291736  0.99417701  1.0
  Al  Al8  1  0.99991635  0.23257560  0.00176368  1.0
  Al  Al9  1  0.23581157  0.00210171  0.49740008  1.0
  Al  Al10  1  0.23581157  0.00210171  0.00259992  1.0
  Al  Al11  1  0.76140131  0.76291736  0.50582299  1.0
  Pt  Pt12  1  0.32690753  0.67868549  0.50605202  1.0
  Pt  Pt13  1  0.68092885  0.33390270  0.50629799  1.0
  Pt  Pt14  1  0.68092885  0.33390270  0.99370201  1.0
  Pt  Pt15  1  0.97473314  0.97402510  0.25000000  1.0
  Pt  Pt16  1  0.00827180  0.00180305  0.75000000  1.0
  Pt  Pt17  1  0.32690753  0.67868549  0.99394798  1.0

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