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SrZnSn

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1019279 · Space group: P6_3/mmc (#194)

Basic Information

Formula
SrZnSn
MP-ID
mp-1019279
Elements
3
Sites
6
Density
5.3271
g/cm³
Volume
169.41
ų
Cell a
4.6077
Å
Cell b
4.6081
Å
Cell c
9.2127
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
19.27 4.6064 22.4 (0,0,0,2)
24.31 3.6620 4.1 (0,1,-1,1)
24.31 3.6618 8.7 (1,0,-1,1)
29.62 3.0163 50.1 (0,1,-1,2)
29.62 3.0161 100.0 (1,0,-1,2)
36.93 2.4338 1.5 (0,1,-1,3)
36.94 2.4337 3.1 (1,0,-1,3)
39.10 2.3041 55.0 (1,1,-2,0)
39.10 2.3039 27.5 (2,-1,-1,0)
39.11 2.3032 27.5 (0,0,0,4)
43.94 2.0607 11.2 (1,1,-2,2)
43.94 2.0605 5.6 (2,-1,-1,2)
46.57 1.9501 1.7 (2,0,-2,1)
49.80 1.8310 11.7 (0,2,-2,2)
49.80 1.8309 23.5 (2,0,-2,2)
56.49 1.6289 18.7 (1,1,-2,4)
56.49 1.6289 18.7 (1,-2,1,4)
56.50 1.6288 18.7 (2,-1,-1,4)
60.28 1.5355 1.1 (0,0,0,6)
65.07 1.4335 10.5 (1,2,-3,2)
65.07 1.4334 5.2 (2,1,-3,2)
65.07 1.4334 5.2 (2,-3,1,2)
65.07 1.4334 10.5 (3,-1,-2,2)
65.09 1.4331 5.2 (0,1,-1,6)
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Energy Properties

Formation Energy/atom
-0.60602
eV/atom
Energy/atom
-16.87351
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.8735
eV/atom
Volume/atom
28.24
ų
c/a Ratio
1.9994

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
37.518
GPa
GVRH
27.358
GPa
Young's Modulus E
66.025
GPa
Poisson Ratio ν
0.207
Pugh Ratio K/G
1.371
Vickers Hardness Est.
6.578
GPa
Ductility
Ductile
Anisotropy
0.707
Lame λ
19.279
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
7.6992
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.307%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4225
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.889
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
0.430
Family
Sr-rich Multi-Component
Matrix Element
Sr · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7070
Homogeneous Poisson ν
0.2070
Debye Temperature
278.6
K
Sound Velocity
2,503.6
m/s
Homogeneity
0.2070

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1019279
Reference Citation

The crystal structure and related material properties of SrZnSn were obtained from the Materials Project database (MP-ID: mp-1019279, 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_SrZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60772754
_cell_length_b   4.60810945
_cell_length_c   9.21271523
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99725127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnSn
_chemical_formula_sum   'Sr2 Zn2 Sn2'
_cell_volume   169.41032828
_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
  Zn  Zn2  1  0.33408188  0.66816276  0.75000000  1.0
  Zn  Zn3  1  0.66591812  0.33183724  0.25000000  1.0
  Sn  Sn4  1  0.33283051  0.66566301  0.25000000  1.0
  Sn  Sn5  1  0.66716949  0.33433699  0.75000000  1.0
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