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Sm4In21Pd10

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-680615 · Space group: C2 (#5)

Basic Information

Formula
Sm4In21Pd10
MP-ID
mp-680615
Elements
3
Sites
35
Density
8.9099
g/cm³
Volume
759.80
ų
Cell a
11.8959
Å
Cell b
11.8959
Å
Cell c
17.4316
Å
α Angle
56.18
°
β Angle
56.18
°
γ Angle
21.96
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
Monoclinic 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
15.77 5.6206 4.3 (2,2,1)
18.45 4.8102 1.1 (2,2,0)
22.58 3.9380 3.3 (2,2,-1)
22.77 3.9054 1.5 (2,1,1)
23.03 3.8627 3.1 (3,3,3)
23.16 3.8404 1.1 (2,1,2)
26.90 3.3148 1.0 (1,1,5)
27.98 3.1889 1.2 (3,2,3)
28.30 3.1532 1.4 (3,2,1)
28.42 3.1408 7.0 (2,1,4)
29.98 2.9802 17.9 (1,0,4)
30.59 2.9230 1.6 (2,1,-2)
30.87 2.8970 8.6 (4,4,4)
31.14 2.8721 6.3 (1,1,-4)
31.52 2.8387 11.8 (3,3,6)
31.84 2.8103 1.2 (4,4,2)
31.86 2.8092 5.8 (3,3,-1)
32.27 2.7738 3.0 (4,4,5)
32.62 2.7450 18.8 (2,1,5)
32.90 2.7227 54.5 (3,2,5)
33.05 2.7105 2.7 (2,2,-3)
33.35 2.6866 27.9 (4,3,3)
33.73 2.6574 75.7 (3,2,-1)
33.90 2.6442 42.0 (4,3,2)
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Energy Properties

Formation Energy/atom
-0.62164
eV/atom
Energy/atom
-24.12697
eV/atom
Energy above Hull
0.0025
eV/atom
Uncorrected Energy
-4.1905
eV/atom
Volume/atom
21.71
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
0.0041
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 · 0.600
Element Family
PostTransition-Noble
Solute Fraction
0.400
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9123
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.5850
J/mol·K
Ω Parameter
0.8071
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.886%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3007
smaller = more stable mixing
VEC
5.343
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.776
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8304
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.562
Family
In-rich Multi-Component
Matrix Element
In · 0.600

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-680615
Reference Citation

The crystal structure and related material properties of Sm4In21Pd10 were obtained from the Materials Project database (MP-ID: mp-680615, 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_Sm4In21Pd10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.89594458
_cell_length_b   11.89594458
_cell_length_c   17.43156113
_cell_angle_alpha   56.18362407
_cell_angle_beta   56.18362407
_cell_angle_gamma   21.95611506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4In21Pd10
_chemical_formula_sum   'Sm4 In21 Pd10'
_cell_volume   759.79666921
_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
  Sm  Sm0  1  0.23498400  0.22128000  0.17506100  1.0
  Sm  Sm1  1  0.12325700  0.11909800  0.66579000  1.0
  Sm  Sm2  1  0.88090200  0.87674300  0.33421000  1.0
  Sm  Sm3  1  0.77872000  0.76501600  0.82493900  1.0
  In  In4  1  0.45697600  0.46024900  0.36741600  1.0
  In  In5  1  0.53975100  0.54302400  0.63258400  1.0
  In  In6  1  0.38997200  0.37897400  0.70399900  1.0
  In  In7  1  0.05729500  0.06897600  0.20238600  1.0
  In  In8  1  0.60336800  0.59602700  0.00471200  1.0
  In  In9  1  0.19711200  0.20360800  0.99578300  1.0
  In  In10  1  0.63602100  0.62508200  0.79951400  1.0
  In  In11  1  0.93102400  0.94270500  0.79761400  1.0
  In  In12  1  0.01271100  0.01353400  0.90433600  1.0
  In  In13  1  0.79639200  0.80288800  0.00421700  1.0
  In  In14  1  0.37491800  0.36397900  0.20048600  1.0
  In  In15  1  0.50308700  0.49691300  0.50000000  1.0
  In  In16  1  0.74980100  0.74590000  0.29404700  1.0
  In  In17  1  0.29918100  0.29828800  0.50211600  1.0
  In  In18  1  0.62102600  0.61002800  0.29600100  1.0
  In  In19  1  0.40397300  0.39663200  0.99528800  1.0
  In  In20  1  0.70171200  0.70081900  0.49788400  1.0
  In  In21  1  0.25410000  0.25019900  0.70595300  1.0
  In  In22  1  0.12417600  0.10364000  0.44945300  1.0
  In  In23  1  0.98646600  0.98728900  0.09566400  1.0
  In  In24  1  0.89636000  0.87582400  0.55054700  1.0
  Pd  Pd25  1  0.48424100  0.50097100  0.18982400  1.0
  Pd  Pd26  1  0.35457900  0.33945600  0.88502200  1.0
  Pd  Pd27  1  0.66054400  0.64542100  0.11497800  1.0
  Pd  Pd28  1  0.86713200  0.85807200  0.10616400  1.0
  Pd  Pd29  1  0.75453100  0.74774800  0.61375800  1.0
  Pd  Pd30  1  0.97544200  0.97560000  0.61109500  1.0
  Pd  Pd31  1  0.25225200  0.24546900  0.38624200  1.0
  Pd  Pd32  1  0.14192800  0.13286800  0.89383600  1.0
  Pd  Pd33  1  0.02440000  0.02455800  0.38890500  1.0
  Pd  Pd34  1  0.49902900  0.51575900  0.81017600  1.0
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