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Nd8Si15Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3291316 · Space group: P-6m2 (#187)

Basic Information

Formula
Nd8Si15Rh
MP-ID
mp-3291316
Elements
3
Sites
24
Density
5.6539
g/cm³
Volume
492.86
ų
Cell a
8.1854
Å
Cell b
8.1854
Å
Cell c
8.4941
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
No
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
12.49 7.0888 1.6 (1,0,-1,0)
16.29 5.4425 1.5 (1,0,-1,1)
20.92 4.2470 8.8 (0,0,0,2)
25.13 3.5444 38.3 (2,0,-2,0)
32.91 2.7212 100.0 (2,0,-2,2)
42.57 2.1235 11.3 (0,0,0,4)
44.26 2.0464 30.6 (4,-2,-2,0)
49.44 1.8435 4.2 (2,2,-4,2)
49.44 1.8435 2.1 (4,-2,-2,2)
50.07 1.8216 12.0 (2,0,-2,4)
51.57 1.7722 5.6 (4,0,-4,0)
56.25 1.6355 21.4 (4,0,-4,2)
63.09 1.4735 20.9 (4,-2,-2,4)
69.03 1.3606 4.5 (4,0,-4,4)
70.26 1.3397 4.4 (6,-2,-4,0)
71.80 1.3147 10.0 (2,0,-2,6)
74.23 1.2776 12.5 (4,2,-6,2)
74.23 1.2776 6.2 (6,-2,-4,2)
81.46 1.1815 1.7 (0,6,-6,0)
81.46 1.1815 3.4 (6,0,-6,0)
82.93 1.1642 1.3 (4,-2,-2,6)
85.75 1.1330 1.7 (2,4,-6,4)
85.75 1.1330 3.4 (6,-2,-4,4)
88.37 1.1061 2.0 (0,4,-4,6)
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Energy Properties

Formation Energy/atom
-0.72709
eV/atom
Energy/atom
-17.02237
eV/atom
Energy above Hull
0.0003
eV/atom
Uncorrected Energy
-17.0224
eV/atom
Volume/atom
20.54
ų
c/a Ratio
1.0377

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0001
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 · 0.625
Element Family
Metalloid-Nonmetal
Solute Fraction
0.375
Interstitial Fraction
0.625

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7924
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.5878
J/mol·K
Ω Parameter
0.3201
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
22.606%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3770
smaller = more stable mixing
VEC
3.875
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-32.514
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7213
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.636
Family
Interstitial Alloy
Matrix Element
Si · 0.625

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291316
Reference Citation

The crystal structure and related material properties of Nd8Si15Rh were obtained from the Materials Project database (MP-ID: mp-3291316, 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_Nd8Si15Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18538198
_cell_length_b   8.18538251
_cell_length_c   8.49408889
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999786
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd8Si15Rh
_chemical_formula_sum   'Nd8 Si15 Rh1'
_cell_volume   492.86204237
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.74986352  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.25014711  1.0
  Nd  Nd2  1  0.49965899  0.50034101  0.74414938  1.0
  Nd  Nd3  1  0.49965899  0.99932097  0.74414938  1.0
  Nd  Nd4  1  0.00067903  0.50034101  0.74414938  1.0
  Nd  Nd5  1  0.49977120  0.50022880  0.25584154  1.0
  Nd  Nd6  1  0.00045959  0.50022880  0.25584154  1.0
  Nd  Nd7  1  0.49977120  0.99954041  0.25584154  1.0
  Si  Si8  1  0.66666700  0.33333300  0.99987238  1.0
  Si  Si9  1  0.66666700  0.33333300  0.50029072  1.0
  Si  Si10  1  0.33333300  0.66666700  0.49973698  1.0
  Si  Si11  1  0.83774463  0.16225537  0.99995299  1.0
  Si  Si12  1  0.83774463  0.67549026  0.99995299  1.0
  Si  Si13  1  0.32450974  0.16225537  0.99995299  1.0
  Si  Si14  1  0.83238556  0.16761444  0.49998040  1.0
  Si  Si15  1  0.83238556  0.66477113  0.49998040  1.0
  Si  Si16  1  0.33522887  0.16761444  0.49998040  1.0
  Si  Si17  1  0.16663730  0.83336270  0.50000594  1.0
  Si  Si18  1  0.66672539  0.83336270  0.50000594  1.0
  Si  Si19  1  0.16663730  0.33327461  0.50000594  1.0
  Si  Si20  1  0.17097142  0.82902858  0.00007571  1.0
  Si  Si21  1  0.65805816  0.82902858  0.00007571  1.0
  Si  Si22  1  0.17097142  0.34194184  0.00007571  1.0
  Rh  Rh23  1  0.33333300  0.66666700  0.00006641  1.0
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