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Sr3In4Pb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-605735 · Space group: Cmcm (#63)

Basic Information

Formula
Sr3In4Pb
MP-ID
mp-605735
Elements
3
Sites
16
Density
5.9019
g/cm³
Volume
522.95
ų
Cell a
6.6008
Å
Cell b
6.6008
Å
Cell c
16.9487
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
134.91
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
10.44 8.4743 1.4 (0,0,2)
14.53 6.0965 16.0 (1,-1,0)
15.45 5.7366 6.0 (1,-1,1)
17.92 4.9489 2.5 (1,-1,2)
18.99 4.6744 11.1 (1,0,0)
19.70 4.5062 19.6 (1,0,1)
20.97 4.2372 1.9 (0,0,4)
21.44 4.1438 22.7 (1,-1,3)
21.71 4.0930 3.1 (1,0,2)
24.72 3.6015 2.1 (1,0,3)
28.16 3.1690 10.1 (2,-1,0)
28.43 3.1394 100.0 (1,0,4)
28.66 3.1150 27.6 (2,-1,1)
29.30 3.0482 21.7 (2,-2,0)
29.78 3.0001 1.3 (2,-2,1)
30.11 2.9682 18.9 (2,-1,2)
30.17 2.9626 5.7 (1,-1,5)
31.68 2.8248 24.2 (0,0,6)
32.39 2.7639 59.7 (2,-1,3)
33.40 2.6827 22.4 (2,-2,3)
35.01 2.5630 6.7 (1,-1,6)
35.37 2.5377 61.8 (2,-1,4)
35.47 2.5306 54.9 (1,1,0)
36.31 2.4745 15.2 (2,-2,4)
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Energy Properties

Formation Energy/atom
-0.45293
eV/atom
Energy/atom
-2.93126
eV/atom
Energy above Hull
0.0137
eV/atom
Uncorrected Energy
-2.9313
eV/atom
Volume/atom
32.68
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0040
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9743
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1005
J/mol·K
Ω Parameter
1.6709
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.544%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4872
smaller = more stable mixing
VEC
2.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.314
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8869
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.461
Family
In-rich Multi-Component
Matrix Element
In · 0.500

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-605735
Reference Citation

The crystal structure and related material properties of Sr3In4Pb were obtained from the Materials Project database (MP-ID: mp-605735, 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_Sr3In4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60081547
_cell_length_b   6.60081547
_cell_length_c   16.94866800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   134.91482278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3In4Pb
_chemical_formula_sum   'Sr6 In8 Pb2'
_cell_volume   522.95031780
_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  0.08834300  0.91165700  0.38893200  1.0
  Sr  Sr1  1  0.63609700  0.36390300  0.75000000  1.0
  Sr  Sr2  1  0.36390300  0.63609700  0.25000000  1.0
  Sr  Sr3  1  0.91165700  0.08834300  0.61106800  1.0
  Sr  Sr4  1  0.91165700  0.08834300  0.88893200  1.0
  Sr  Sr5  1  0.08834300  0.91165700  0.11106800  1.0
  In  In6  1  0.20697400  0.79302600  0.90289800  1.0
  In  In7  1  0.79302600  0.20697400  0.40289800  1.0
  In  In8  1  0.38694800  0.61305200  0.46404200  1.0
  In  In9  1  0.61305200  0.38694800  0.96404200  1.0
  In  In10  1  0.20697400  0.79302600  0.59710200  1.0
  In  In11  1  0.61305200  0.38694800  0.53595800  1.0
  In  In12  1  0.38694800  0.61305200  0.03595800  1.0
  In  In13  1  0.79302600  0.20697400  0.09710200  1.0
  Pb  Pb14  1  0.34591100  0.65408900  0.75000000  1.0
  Pb  Pb15  1  0.65408900  0.34591100  0.25000000  1.0
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