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Hf8Nb11Si16Rh

High-Entropy Materials HEA

MP-ID: mp-3297350 · Space group: Pm (#6)

Basic Information

Formula
Hf8Nb11Si16Rh
MP-ID
mp-3297350
Elements
4
Sites
36
Density
8.4827
g/cm³
Volume
587.69
ų
Cell a
6.6084
Å
Cell b
6.8305
Å
Cell c
13.0203
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.60
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
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
13.60 6.5102 3.6 (0,0,2)
14.65 6.0485 15.4 (0,1,1)
18.59 4.7742 4.6 (1,-1,0)
18.78 4.7246 4.6 (1,1,0)
23.10 3.8499 8.8 (1,-1,2)
23.26 3.8238 11.1 (1,1,2)
24.30 3.6631 45.2 (0,1,3)
26.09 3.4151 16.8 (0,2,0)
26.99 3.3040 20.5 (2,0,0)
27.40 3.2551 35.8 (0,0,4)
27.78 3.2114 10.5 (1,-1,3)
27.91 3.1962 8.1 (1,1,3)
29.31 3.0469 5.3 (1,-2,0)
29.54 3.0242 17.9 (0,2,2)
29.57 3.0210 4.8 (1,2,0)
29.92 2.9866 9.1 (2,-1,0)
30.12 2.9667 29.6 (1,-2,1)
30.17 2.9622 8.0 (2,1,0)
30.34 2.9463 23.5 (2,0,2)
30.37 2.9429 31.6 (1,2,1)
30.71 2.9110 35.0 (2,-1,1)
30.96 2.8884 33.0 (2,1,1)
33.31 2.6894 8.9 (1,-1,4)
33.43 2.6805 11.2 (1,1,4)
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Energy Properties

Formation Energy/atom
-0.83494
eV/atom
Energy/atom
-22.99612
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.9961
eV/atom
Volume/atom
16.32
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
0.0008
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.444
Element Family
Metalloid-Nonmetal
Solute Fraction
0.556
Interstitial Fraction
0.444

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1565
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6149
J/mol·K
Ω Parameter
0.4031
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.948%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2560
smaller = more stable mixing
VEC
4.444
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-52.698
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8342
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297350
Reference Citation

The crystal structure and related material properties of Hf8Nb11Si16Rh were obtained from the Materials Project database (MP-ID: mp-3297350, 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_Hf8Nb11Si16Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60844293
_cell_length_b   6.83053408
_cell_length_c   13.02032281
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.59818311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf8Nb11Si16Rh
_chemical_formula_sum   'Hf8 Nb11 Si16 Rh1'
_cell_volume   587.69485522
_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
  Hf  Hf0  1  0.49233971  0.67554114  0.59133848  1.0
  Hf  Hf1  1  0.00169819  0.82915808  0.90887394  1.0
  Hf  Hf2  1  0.50218332  0.32868661  0.09208666  1.0
  Hf  Hf3  1  0.00269581  0.17334847  0.40508654  1.0
  Hf  Hf4  1  0.50218332  0.32868661  0.40791334  1.0
  Hf  Hf5  1  0.00269581  0.17334847  0.09491346  1.0
  Hf  Hf6  1  0.49233971  0.67554114  0.90866152  1.0
  Hf  Hf7  1  0.00169819  0.82915808  0.59112606  1.0
  Nb  Nb8  1  0.66892277  0.16751127  0.62597815  1.0
  Nb  Nb9  1  0.16401239  0.32265006  0.87423065  1.0
  Nb  Nb10  1  0.33341746  0.82719182  0.12301117  1.0
  Nb  Nb11  1  0.83595202  0.67107419  0.37903338  1.0
  Nb  Nb12  1  0.33341746  0.82719182  0.37698883  1.0
  Nb  Nb13  1  0.83595202  0.67107419  0.12096662  1.0
  Nb  Nb14  1  0.66892277  0.16751127  0.87402185  1.0
  Nb  Nb15  1  0.16401239  0.32265006  0.62576935  1.0
  Nb  Nb16  1  0.33843500  0.99463686  0.75000000  1.0
  Nb  Nb17  1  0.16248311  0.50277322  0.25000000  1.0
  Nb  Nb18  1  0.66123179  0.99840893  0.25000000  1.0
  Si  Si19  1  0.67074291  0.96506285  0.46210511  1.0
  Si  Si20  1  0.16903729  0.53444923  0.03543716  1.0
  Si  Si21  1  0.33302648  0.03804954  0.96182218  1.0
  Si  Si22  1  0.82885089  0.46286651  0.54147039  1.0
  Si  Si23  1  0.33302648  0.03804954  0.53817782  1.0
  Si  Si24  1  0.82885089  0.46286651  0.95852961  1.0
  Si  Si25  1  0.67074291  0.96506285  0.03789489  1.0
  Si  Si26  1  0.16903729  0.53444923  0.46456284  1.0
  Si  Si27  1  0.47294306  0.39242109  0.75000000  1.0
  Si  Si28  1  0.96432504  0.10448565  0.75000000  1.0
  Si  Si29  1  0.53948664  0.61341944  0.25000000  1.0
  Si  Si30  1  0.03620842  0.88755295  0.25000000  1.0
  Si  Si31  1  0.70758039  0.85392678  0.75000000  1.0
  Si  Si32  1  0.19619705  0.63031459  0.75000000  1.0
  Si  Si33  1  0.29581319  0.14030763  0.25000000  1.0
  Si  Si34  1  0.79291055  0.36207615  0.25000000  1.0
  Rh  Rh35  1  0.82662126  0.52849414  0.75000000  1.0
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