Navigation

HEAS Data Platform · Materials Science Database

SrAl9Ni2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1103130 · Space group: P6/mmm (#191)

Basic Information

Formula
SrAl9Ni2
MP-ID
mp-1103130
Elements
3
Sites
12
Density
3.4231
g/cm³
Volume
217.25
ų
Cell a
3.9551
Å
Cell b
7.9641
Å
Cell c
7.9641
Å
α Angle
120.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
No
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
12.84 6.8971 10.8 (0,1,-1,0)
22.33 3.9820 88.2 (0,1,-1,1)
22.48 3.9551 17.3 (1,0,-1,0)
25.84 3.4486 3.1 (0,2,-2,0)
25.97 3.4310 1.4 (1,1,-2,0)
31.89 2.8062 100.0 (1,1,-2,1)
34.40 2.6069 15.4 (0,2,-2,1)
34.51 2.5993 53.1 (1,2,-3,0)
39.18 2.2990 5.6 (0,3,-3,0)
39.18 2.2990 2.8 (0,3,-3,-3)
41.49 2.1766 21.1 (1,2,-3,1)
45.56 1.9910 47.1 (0,2,-2,2)
45.64 1.9876 60.9 (1,3,-4,0)
45.89 1.9776 29.1 (2,0,-2,0)
47.53 1.9129 2.3 (0,3,-3,1)
51.38 1.7784 40.3 (1,2,-3,2)
51.60 1.7712 5.9 (2,1,-3,1)
51.60 1.7712 11.8 (2,2,-4,-1)
53.12 1.7243 6.2 (0,4,-4,0)
53.19 1.7221 2.6 (1,3,-4,1)
58.59 1.5755 6.7 (2,1,-3,2)
61.62 1.5051 4.1 (0,4,-4,1)
61.62 1.5051 8.2 (0,5,-5,-1)
61.89 1.4992 4.0 (2,3,-5,0)
Get direct link

Energy Properties

Formation Energy/atom
-0.37234
eV/atom
Energy/atom
-8.68051
eV/atom
Energy above Hull
0.0110
eV/atom
Uncorrected Energy
-4.2643
eV/atom
Volume/atom
18.10
ų
c/a Ratio
2.0136

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.750
Element Family
PostTransition-Noble
Solute Fraction
0.250
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7215
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
5.9982
J/mol·K
Ω Parameter
0.5865
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.534%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2264
smaller = more stable mixing
VEC
4.083
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6567
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.799
Family
Al-based Alloy
Matrix Element
Al · 0.750

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1103130
Reference Citation

The crystal structure and related material properties of SrAl9Ni2 were obtained from the Materials Project database (MP-ID: mp-1103130, 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_SrAl9Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95509500
_cell_length_b   7.96408754
_cell_length_c   7.96408754
_cell_angle_alpha   119.99999622
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl9Ni2
_chemical_formula_sum   'Sr1 Al9 Ni2'
_cell_volume   217.24991663
_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  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al2  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al3  1  0.00000000  0.50000000  0.00000000  1.0
  Al  Al4  1  0.50000000  0.78717500  0.21282500  1.0
  Al  Al5  1  0.50000000  0.42564900  0.21282500  1.0
  Al  Al6  1  0.50000000  0.78717500  0.57435100  1.0
  Al  Al7  1  0.50000000  0.21282500  0.78717500  1.0
  Al  Al8  1  0.50000000  0.21282500  0.42564900  1.0
  Al  Al9  1  0.50000000  0.57435100  0.78717500  1.0
  Ni  Ni10  1  0.00000000  0.66666700  0.33333300  1.0
  Ni  Ni11  1  0.00000000  0.33333300  0.66666700  1.0
Get direct link