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Sm3Eu3S8

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-675396 · Space group: C2 (#5)

Basic Information

Formula
Sm3Eu3S8
MP-ID
mp-675396
Elements
3
Sites
14
Density
6.1241
g/cm³
Volume
315.48
ų
Cell a
7.4182
Å
Cell b
7.4182
Å
Cell c
8.5623
Å
α Angle
54.91
°
β Angle
54.91
°
γ Angle
70.59
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
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
25.37 3.5101 99.4 (1,0,-1)
25.43 3.5031 98.2 (1,0,2)
25.43 3.5028 100.0 (1,-1,1)
25.44 3.5009 97.3 (2,1,1)
25.46 3.4982 98.4 (2,0,1)
25.49 3.4940 100.0 (2,1,2)
29.39 3.0393 8.1 (0,0,2)
29.43 3.0350 18.8 (2,0,0)
29.49 3.0289 11.7 (2,0,2)
29.51 3.0273 7.7 (2,2,2)
32.92 2.7206 44.5 (1,1,-1)
32.96 2.7177 88.5 (2,1,0)
33.00 2.7142 47.1 (2,2,1)
33.03 2.7119 45.7 (1,1,3)
33.04 2.7115 85.4 (2,-1,0)
33.05 2.7104 92.9 (2,-1,1)
33.08 2.7079 91.5 (2,1,3)
33.11 2.7055 41.3 (2,2,3)
39.20 2.2983 28.9 (1,0,-2)
39.22 2.2969 28.7 (2,0,-1)
39.26 2.2950 24.9 (1,0,3)
39.28 2.2939 27.9 (2,-1,-1)
39.29 2.2931 26.9 (3,1,1)
39.31 2.2920 25.9 (2,-1,2)
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Energy Properties

Formation Energy/atom
-2.34219
eV/atom
Energy/atom
-7.92214
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.5873
eV/atom
Volume/atom
22.53
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
20.0000
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.063400
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
S · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9800
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1475
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
29.375%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6904
smaller = more stable mixing
VEC
6.214
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8920
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.474
Family
S-rich Multi-Component
Matrix Element
S · 0.571

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-675396
Reference Citation

The crystal structure and related material properties of Sm3Eu3S8 were obtained from the Materials Project database (MP-ID: mp-675396, 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_Sm3Eu3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41814513
_cell_length_b   7.41814513
_cell_length_c   8.56234167
_cell_angle_alpha   54.91138695
_cell_angle_beta   54.91138695
_cell_angle_gamma   70.58748082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Eu3S8
_chemical_formula_sum   'Sm3 Eu3 S8'
_cell_volume   315.47741928
_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  0.62685305  0.12489869  0.87561946  1.0
  Sm  Sm1  1  0.37230541  0.62769459  -0.00000000  1.0
  Sm  Sm2  1  0.87510131  0.37314695  0.12438054  1.0
  Eu  Eu3  1  0.12747658  0.87252342  0.50000000  1.0
  Eu  Eu4  1  0.74966426  0.75168077  0.37601787  1.0
  Eu  Eu5  1  0.24831923  0.25033574  0.62398213  1.0
  S  S6  1  0.50387227  0.15231623  0.24221496  1.0
  S  S7  1  0.99848352  0.85059189  0.89757101  1.0
  S  S8  1  0.14940811  0.00151648  0.10242899  1.0
  S  S9  1  0.99865015  0.35839679  0.38910164  1.0
  S  S10  1  0.50494313  0.64436600  0.24124526  1.0
  S  S11  1  0.84768377  0.49612773  0.75778504  1.0
  S  S12  1  0.64160321  0.00134985  0.61089836  1.0
  S  S13  1  0.35563400  0.49505687  0.75875474  1.0
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