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Ho6Sc4Al12Rh7

High-Entropy Materials HEA

MP-ID: mp-3291605 · Space group: F-43m (#216)

Basic Information

Formula
Ho6Sc4Al12Rh7
MP-ID
mp-3291605
Elements
4
Sites
29
Density
6.9978
g/cm³
Volume
525.26
ų
Cell a
9.0566
Å
Cell b
9.0566
Å
Cell c
9.0566
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
11.97 7.3946 5.0 (1,0,0)
13.83 6.4040 10.6 (1,1,0)
19.60 4.5283 21.7 (1,0,-1)
23.03 3.8617 6.7 (2,1,0)
24.07 3.6973 1.4 (2,0,0)
27.86 3.2020 96.3 (2,2,0)
30.42 2.9383 60.5 (2,0,-1)
31.23 2.8639 2.0 (2,1,-1)
34.30 2.6144 13.3 (1,3,0)
34.30 2.6144 40.0 (3,1,0)
36.45 2.4649 85.8 (3,0,0)
36.45 2.4649 12.7 (0,0,3)
39.81 2.2641 50.0 (2,-2,0)
39.81 2.2641 100.0 (2,0,-2)
41.72 2.1649 1.9 (2,1,-2)
42.34 2.1347 15.9 (3,0,-1)
47.06 1.9309 7.6 (4,2,0)
49.29 1.8487 3.4 (0,4,0)
49.29 1.8487 6.7 (4,0,0)
49.29 1.8487 3.4 (0,0,4)
50.92 1.7935 7.4 (3,-2,0)
50.92 1.7935 13.3 (3,3,-1)
51.45 1.7761 1.4 (3,-2,1)
51.45 1.7761 6.9 (5,3,2)
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Energy Properties

Formation Energy/atom
-0.89189
eV/atom
Energy/atom
-17.87881
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.8788
eV/atom
Volume/atom
18.11
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
0.0045
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
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
1.3074
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.8700
J/mol·K
Ω Parameter
0.8892
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.133%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3801
smaller = more stable mixing
VEC
6.103
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-18.767
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9431
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291605
Reference Citation

The crystal structure and related material properties of Ho6Sc4Al12Rh7 were obtained from the Materials Project database (MP-ID: mp-3291605, 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_Ho6Sc4Al12Rh7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05654740
_cell_length_b   9.05654817
_cell_length_c   9.05654672
_cell_angle_alpha   60.00000174
_cell_angle_beta   59.99999892
_cell_angle_gamma   60.00000417
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho6Sc4Al12Rh7
_chemical_formula_sum   'Ho6 Sc4 Al12 Rh7'
_cell_volume   525.25841124
_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
  Ho  Ho0  1  0.70208774  0.70208774  0.29791226  1.0
  Ho  Ho1  1  0.29791226  0.70208774  0.29791226  1.0
  Ho  Ho2  1  0.70208774  0.29791226  0.29791226  1.0
  Ho  Ho3  1  0.29791226  0.29791226  0.70208774  1.0
  Ho  Ho4  1  0.70208774  0.29791226  0.70208774  1.0
  Ho  Ho5  1  0.29791226  0.70208774  0.70208774  1.0
  Sc  Sc6  1  0.88182067  0.88182067  0.35453698  1.0
  Sc  Sc7  1  0.88182067  0.35453698  0.88182067  1.0
  Sc  Sc8  1  0.35453698  0.88182067  0.88182067  1.0
  Sc  Sc9  1  0.88182067  0.88182067  0.88182067  1.0
  Al  Al10  1  0.12138147  0.12138147  0.63585460  1.0
  Al  Al11  1  0.12138147  0.63585460  0.12138147  1.0
  Al  Al12  1  0.63585460  0.12138147  0.12138147  1.0
  Al  Al13  1  0.12138147  0.12138147  0.12138147  1.0
  Al  Al14  1  0.67026744  0.67026744  0.98919667  1.0
  Al  Al15  1  0.67026744  0.98919667  0.67026744  1.0
  Al  Al16  1  0.98919667  0.67026744  0.67026744  1.0
  Al  Al17  1  0.67026744  0.67026744  0.67026744  1.0
  Al  Al18  1  0.32821317  0.32821317  0.01536050  1.0
  Al  Al19  1  0.32821317  0.01536050  0.32821317  1.0
  Al  Al20  1  0.01536050  0.32821317  0.32821317  1.0
  Al  Al21  1  0.32821317  0.32821317  0.32821317  1.0
  Rh  Rh22  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh23  1  0.00128325  0.00128325  0.49871675  1.0
  Rh  Rh24  1  0.49871675  0.00128325  0.49871675  1.0
  Rh  Rh25  1  0.00128325  0.49871675  0.49871675  1.0
  Rh  Rh26  1  0.49871675  0.49871675  0.00128325  1.0
  Rh  Rh27  1  0.00128325  0.49871675  0.00128325  1.0
  Rh  Rh28  1  0.49871675  0.00128325  0.00128325  1.0
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