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Sm2(InCo3)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-672646 · Space group: Amm2 (#38)

Basic Information

Formula
Sm2(InCo3)3
MP-ID
mp-672646
Elements
3
Sites
14
Density
8.8984
g/cm³
Volume
219.38
ų
Cell a
4.0332
Å
Cell b
4.8999
Å
Cell c
11.3706
Å
α Angle
102.50
°
β Angle
89.97
°
γ Angle
89.93
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
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
15.97 5.5505 5.8 (0,0,2)
22.04 4.0332 6.4 (1,0,0)
23.48 3.7896 1.1 (1,0,-1)
24.05 3.7003 7.0 (0,0,3)
31.14 2.8718 53.7 (1,1,1)
31.14 2.8717 52.4 (1,1,-2)
31.16 2.8701 53.5 (1,-1,2)
31.19 2.8673 52.7 (1,-1,-1)
32.26 2.7752 17.5 (0,0,4)
32.83 2.7278 22.1 (1,0,3)
32.86 2.7254 23.5 (1,0,-3)
35.19 2.5506 18.3 (1,1,2)
35.19 2.5506 17.6 (1,1,-3)
35.19 2.5501 17.3 (1,-1,3)
35.24 2.5468 17.6 (1,-1,-2)
36.68 2.4499 62.7 (0,2,-1)
37.59 2.3929 5.3 (0,2,-2)
37.61 2.3918 5.0 (0,2,0)
40.22 2.2422 6.7 (0,2,-3)
40.25 2.2404 6.3 (0,2,1)
40.59 2.2229 33.4 (1,-1,4)
40.59 2.2228 32.2 (1,1,3)
40.59 2.2227 32.4 (1,1,-4)
40.64 2.2202 45.6 (0,0,5)
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Energy Properties

Formation Energy/atom
-0.02462
eV/atom
Energy/atom
-5.87573
eV/atom
Energy above Hull
0.1510
eV/atom
Uncorrected Energy
-5.8757
eV/atom
Volume/atom
15.67
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
11.8386
μB
Mag. Ordering
FiM
Mag. Sites
11
Magnetization/Volume
0.053970
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.643
Element Family
3d-TM
Solute Fraction
0.357
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8921
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.4171
J/mol·K
Ω Parameter
1.1051
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.943%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2430
smaller = more stable mixing
VEC
7.286
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
9.536
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8120
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.641
Family
Co-based Alloy
Matrix Element
Co · 0.643

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-672646
Reference Citation

The crystal structure and related material properties of Sm2(InCo3)3 were obtained from the Materials Project database (MP-ID: mp-672646, 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_Sm2(InCo3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03315923
_cell_length_b   4.89987007
_cell_length_c   11.37062710
_cell_angle_alpha   102.50406517
_cell_angle_beta   89.96528685
_cell_angle_gamma   89.92644057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2(InCo3)3
_chemical_formula_sum   'Sm2 In3 Co9'
_cell_volume   219.37568687
_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  0.99398800  0.32407400  0.63639900  1.0
  Sm  Sm1  1  0.99799600  0.68651100  0.36257900  1.0
  In  In2  1  0.49559900  0.20693100  0.40310200  1.0
  In  In3  1  0.49788800  0.80660400  0.59731300  1.0
  In  In4  1  0.99958600  0.99797700  0.99782800  1.0
  Co  Co5  1  0.99791100  0.11835600  0.23612100  1.0
  Co  Co6  1  0.49787100  0.84348300  0.18323000  1.0
  Co  Co7  1  0.00022100  0.88312200  0.76183100  1.0
  Co  Co8  1  0.49891700  0.66447400  0.81643700  1.0
  Co  Co9  1  0.99644200  0.43861700  0.87618500  1.0
  Co  Co10  1  0.49642800  0.49733300  0.00052800  1.0
  Co  Co11  1  0.00136800  0.55857300  0.12206400  1.0
  Co  Co12  1  0.50269000  0.33728600  0.18427400  1.0
  Co  Co13  1  0.50117100  0.15266900  0.81681100  1.0
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