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Sc10Al12Rh7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3297565 · Space group: F-43m (#216)

Basic Information

Formula
Sc10Al12Rh7
MP-ID
mp-3297565
Elements
3
Sites
29
Density
4.9753
g/cm³
Volume
498.52
ų
Cell a
8.9002
Å
Cell b
8.9002
Å
Cell c
8.9002
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
Cubic F
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
12.18 7.2670 12.9 (1,0,0)
14.07 6.2934 4.8 (1,1,0)
19.95 4.4501 5.7 (1,0,-1)
23.44 3.7951 4.9 (2,1,0)
24.50 3.6335 51.3 (2,0,0)
28.36 3.1467 33.4 (2,2,0)
30.97 2.8876 4.8 (2,0,-1)
30.97 2.8876 9.5 (1,0,-2)
34.92 2.5693 10.5 (3,1,0)
34.92 2.5693 5.2 (1,0,3)
37.11 2.4223 22.7 (3,0,0)
40.54 2.2251 20.0 (2,-2,0)
40.54 2.2251 100.0 (2,0,-2)
42.49 2.1276 11.8 (3,1,-1)
42.49 2.1276 2.4 (2,1,4)
43.12 2.0978 4.1 (3,0,-1)
45.58 1.9902 3.6 (3,2,-1)
47.94 1.8975 19.3 (4,2,0)
47.94 1.8975 27.0 (2,4,0)
50.22 1.8168 8.0 (4,0,0)
51.88 1.7625 2.6 (4,3,0)
56.13 1.6387 4.3 (1,0,-4)
58.68 1.5734 13.3 (4,4,0)
60.18 1.5377 2.5 (5,2,0)
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Energy Properties

Formation Energy/atom
-0.87290
eV/atom
Energy/atom
-13.41510
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.4151
eV/atom
Volume/atom
17.19
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
0.0581
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000120
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.414
Element Family
PostTransition-Noble
Solute Fraction
0.586
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0754
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.9406
J/mol·K
Ω Parameter
0.3532
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.582%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3524
smaller = more stable mixing
VEC
4.448
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-39.277
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9788
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.631
Family
Al-rich Multi-Component
Matrix Element
Al · 0.414

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297565
Reference Citation

The crystal structure and related material properties of Sc10Al12Rh7 were obtained from the Materials Project database (MP-ID: mp-3297565, 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_Sc10Al12Rh7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90020303
_cell_length_b   8.90020289
_cell_length_c   8.90020222
_cell_angle_alpha   60.00000251
_cell_angle_beta   60.00000302
_cell_angle_gamma   60.00000574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc10Al12Rh7
_chemical_formula_sum   'Sc10 Al12 Rh7'
_cell_volume   498.52246536
_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
  Sc  Sc0  1  0.70041943  0.70041943  0.29958057  1.0
  Sc  Sc1  1  0.29958057  0.70041943  0.29958057  1.0
  Sc  Sc2  1  0.70041943  0.29958057  0.29958057  1.0
  Sc  Sc3  1  0.29958057  0.29958057  0.70041943  1.0
  Sc  Sc4  1  0.70041943  0.29958057  0.70041943  1.0
  Sc  Sc5  1  0.29958057  0.70041943  0.70041943  1.0
  Sc  Sc6  1  0.88157114  0.88157114  0.35528457  1.0
  Sc  Sc7  1  0.88157114  0.35528457  0.88157114  1.0
  Sc  Sc8  1  0.35528457  0.88157114  0.88157114  1.0
  Sc  Sc9  1  0.88157114  0.88157114  0.88157114  1.0
  Al  Al10  1  0.12167870  0.12167870  0.63496489  1.0
  Al  Al11  1  0.12167870  0.63496489  0.12167870  1.0
  Al  Al12  1  0.63496489  0.12167870  0.12167870  1.0
  Al  Al13  1  0.12167870  0.12167870  0.12167870  1.0
  Al  Al14  1  0.66681540  0.66681540  0.99955480  1.0
  Al  Al15  1  0.66681540  0.99955480  0.66681540  1.0
  Al  Al16  1  0.99955480  0.66681540  0.66681540  1.0
  Al  Al17  1  0.66681540  0.66681540  0.66681540  1.0
  Al  Al18  1  0.33241966  0.33241966  0.00274201  1.0
  Al  Al19  1  0.33241966  0.00274201  0.33241966  1.0
  Al  Al20  1  0.00274201  0.33241966  0.33241966  1.0
  Al  Al21  1  0.33241966  0.33241966  0.33241966  1.0
  Rh  Rh22  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh23  1  0.00141091  0.00141091  0.49858909  1.0
  Rh  Rh24  1  0.49858909  0.00141091  0.49858909  1.0
  Rh  Rh25  1  0.00141091  0.49858909  0.49858909  1.0
  Rh  Rh26  1  0.49858909  0.49858909  0.00141091  1.0
  Rh  Rh27  1  0.00141091  0.49858909  0.00141091  1.0
  Rh  Rh28  1  0.49858909  0.00141091  0.00141091  1.0
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