Navigation

HEAS Data Platform · Materials Science Database

SrAsPt

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-8456 · Space group: P6_3/mmc (#194)

Basic Information

Formula
SrAsPt
MP-ID
mp-8456
Elements
3
Sites
6
Density
8.3477
g/cm³
Volume
142.28
ų
Cell a
4.2575
Å
Cell b
4.2575
Å
Cell c
9.0635
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.59 4.5318 51.4 (0,0,0,2)
24.14 3.6871 4.0 (1,-1,0,0)
24.14 3.6871 2.0 (1,0,-1,0)
26.09 3.4153 30.3 (1,-1,0,1)
26.09 3.4153 15.1 (1,0,-1,1)
31.27 2.8601 100.0 (1,-1,0,2)
31.27 2.8601 50.0 (1,0,-1,2)
38.52 2.3369 16.9 (1,0,-1,3)
39.78 2.2659 33.5 (0,0,0,4)
42.46 2.1288 27.8 (1,-2,1,0)
42.46 2.1288 55.6 (2,-1,-1,0)
47.07 1.9305 1.4 (1,-1,0,4)
47.17 1.9268 10.7 (1,-2,1,2)
47.17 1.9268 10.7 (1,1,-2,2)
47.17 1.9268 10.7 (2,-1,-1,2)
50.52 1.8066 2.7 (0,2,-2,1)
50.52 1.8066 2.7 (2,-2,0,1)
50.52 1.8066 2.7 (2,0,-2,1)
53.67 1.7077 21.7 (2,-2,0,2)
53.67 1.7077 10.9 (2,0,-2,2)
56.58 1.6267 5.8 (1,0,-1,5)
58.67 1.5737 3.5 (2,-2,0,3)
58.67 1.5737 1.7 (2,0,-2,3)
59.59 1.5515 20.5 (1,-2,1,4)
Get direct link

Energy Properties

Formation Energy/atom
-1.15577
eV/atom
Energy/atom
-28.26940
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.2694
eV/atom
Volume/atom
23.71
ų
c/a Ratio
2.1288

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
72.367
GPa
GVRH
29.338
GPa
Young's Modulus E
77.536
GPa
Poisson Ratio ν
0.321
Pugh Ratio K/G
2.467
Vickers Hardness Est.
2.020
GPa
Ductility
Brittle
Anisotropy
0.498
Lame λ
52.808
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.333
Element Family
Alkali-AlkEarth
Solute Fraction
0.667
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
23.643%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6048
smaller = more stable mixing
VEC
5.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.390
Family
Sr-rich Multi-Component
Matrix Element
Sr · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4980
Homogeneous Poisson ν
0.3210
Debye Temperature
266.2
K
Sound Velocity
2,099.8
m/s
Homogeneity
0.3210

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8456
Reference Citation

The crystal structure and related material properties of SrAsPt were obtained from the Materials Project database (MP-ID: mp-8456, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_SrAsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25751375
_cell_length_b   4.25751507
_cell_length_c   9.06349631
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAsPt
_chemical_formula_sum   'Sr2 As2 Pt2'
_cell_volume   142.27828513
_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  -0.00000000  0.00000000  0.50000000  1.0
  Sr  Sr1  1  -0.00000000  0.00000000  0.00000000  1.0
  As  As2  1  0.33333300  0.66666700  0.75000000  1.0
  As  As3  1  0.66666700  0.33333300  0.25000000  1.0
  Pt  Pt4  1  0.33333300  0.66666700  0.25000000  1.0
  Pt  Pt5  1  0.66666700  0.33333300  0.75000000  1.0
Get direct link