SrY3(Al8Pt3)3

High-Entropy Materials HEA

MP-ID: mp-3295231 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

SrY3(Al8Pt3)3

MP-ID

mp-3295231

Elements

Sites

Density

7.2453

g/cm³

Volume

632.02

Å³

Cell a

7.4960

Cell b

7.5051

Cell c

13.2162

α Angle

84.66

β Angle

79.16

γ Angle

59.94

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

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
6.81	12.9802	2.4	(0,0,1)
13.64	6.4901	6.0	(0,0,2)
13.81	6.4105	1.7	(1,1,0)
13.84	6.3997	2.0	(1,0,0)
14.39	6.1549	1.0	(1,0,1)
15.24	5.8121	1.3	(0,1,-1)
20.53	4.3267	100.0	(0,0,3)
23.82	3.7358	70.3	(1,2,0)
23.85	3.7304	69.9	(2,1,1)
23.86	3.7294	69.7	(1,-1,0)
24.16	3.6836	3.1	(1,2,1)
24.18	3.6811	3.1	(2,1,0)
24.19	3.6799	3.1	(1,-1,1)
25.42	3.5034	4.3	(1,2,-1)
25.47	3.4966	4.2	(2,1,2)
25.48	3.4960	4.3	(1,-1,-1)
26.38	3.3785	5.9	(2,1,-1)
26.38	3.3784	5.7	(1,2,2)
26.39	3.3774	5.9	(1,-1,2)
27.49	3.2451	8.8	(0,0,4)
28.67	3.1133	53.6	(1,2,-2)
28.73	3.1070	53.5	(2,1,3)
28.74	3.1067	53.5	(1,-1,-2)
29.78	3.0000	1.5	(2,2,-1)

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Energy Properties

Formation Energy/atom

-0.97206

eV/atom

Energy/atom

-19.91926

eV/atom

Energy above Hull

0.0001

eV/atom

Uncorrected Energy

-19.9193

eV/atom

Volume/atom

17.08

Å³

c/a Ratio

1.7631

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0058

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

Al · 0.649

Element Family

PostTransition-Noble

Solute Fraction

0.351

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9259

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6983

J/mol·K

Ω Parameter

0.2328

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.404%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3470

smaller = more stable mixing

VEC

4.676

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-42.198

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6679

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmpr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295231

Reference Citation

The crystal structure and related material properties of SrY3(Al8Pt3)3 were obtained from the Materials Project database (MP-ID: mp-3295231, 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_SrY3(Al8Pt3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49595852
_cell_length_b   7.50504929
_cell_length_c   13.21618735
_cell_angle_alpha   84.66022018
_cell_angle_beta   79.15640760
_cell_angle_gamma   59.94065993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY3(Al8Pt3)3
_chemical_formula_sum   'Sr1 Y3 Al24 Pt9'
_cell_volume   632.02241006
_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  0.39324349  0.16772572  0.80985633  1.0
  Y  Y1  1  0.60485564  0.83278303  0.19203400  1.0
  Y  Y2  1  0.73272680  0.49892613  0.80899860  1.0
  Y  Y3  1  0.26751820  0.50038638  0.19201894  1.0
  Al  Al4  1  0.68623172  0.83225429  0.94910009  1.0
  Al  Al5  1  0.31421229  0.16651779  0.05635625  1.0
  Al  Al6  1  0.14757388  0.83235550  0.55827075  1.0
  Al  Al7  1  0.85343439  0.16745302  0.43816339  1.0
  Al  Al8  1  0.48076162  0.16659687  0.55661561  1.0
  Al  Al9  1  0.52043100  0.83335357  0.44010638  1.0
  Al  Al10  1  0.21725742  0.16570628  0.32895669  1.0
  Al  Al11  1  0.78502056  0.83375903  0.66651462  1.0
  Al  Al12  1  0.43820650  0.50708103  0.66668412  1.0
  Al  Al13  1  0.56328181  0.49312943  0.32911137  1.0
  Al  Al14  1  0.11060404  0.15953297  0.66523699  1.0
  Al  Al15  1  0.89041455  0.84033250  0.33026833  1.0
  Al  Al16  1  0.34896963  0.50281313  0.94905479  1.0
  Al  Al17  1  0.64785479  0.50019563  0.05607893  1.0
  Al  Al18  1  0.01179966  0.16554339  0.95992048  1.0
  Al  Al19  1  0.98413625  0.83288460  0.04857130  1.0
  Al  Al20  1  0.18672116  0.49929981  0.44009870  1.0
  Al  Al21  1  0.81391134  0.50049404  0.55720791  1.0
  Al  Al22  1  0.73454256  0.16472239  0.18374433  1.0
  Al  Al23  1  0.26811582  0.82669108  0.81683575  1.0
  Al  Al24  1  0.05256805  0.63725796  0.81572244  1.0
  Al  Al25  1  0.93824802  0.36983530  0.18507468  1.0
  Al  Al26  1  0.86214485  0.04363887  0.81674738  1.0
  Al  Al27  1  0.14453895  0.95896244  0.18425940  1.0
  Pt  Pt28  1  0.12021503  0.49461336  0.63560943  1.0
  Pt  Pt29  1  0.87965211  0.50745998  0.36162055  1.0
  Pt  Pt30  1  0.65650287  0.17136967  0.00222104  1.0
  Pt  Pt31  1  0.34227839  0.82786134  0.00245600  1.0
  Pt  Pt32  1  0.53872120  0.16669662  0.36132207  1.0
  Pt  Pt33  1  0.46158961  0.83157653  0.63564930  1.0
  Pt  Pt34  1  0.78292813  0.17301913  0.63448404  1.0
  Pt  Pt35  1  0.22020697  0.82593846  0.36243913  1.0
  Pt  Pt36  1  0.99858368  0.50123175  0.00258788  1.0

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