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Nd10Si16Ag

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3291611 · Space group: Cm (#8)

Basic Information

Formula
Nd10Si16Ag
MP-ID
mp-3291611
Elements
3
Sites
27
Density
5.5314
g/cm³
Volume
600.30
ų
Cell a
11.5016
Å
Cell b
11.4957
Å
Cell c
11.5016
Å
α Angle
144.66
°
β Angle
136.53
°
γ Angle
57.23
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
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
8.76 10.0942 1.9 (1,1,-1)
11.27 7.8485 2.5 (0,1,-1)
13.42 6.5999 1.6 (1,0,-1)
13.42 6.5959 1.7 (0,1,0)
16.42 5.3996 1.9 (0,0,1)
16.79 5.2805 1.3 (1,2,-2)
18.63 4.7627 1.2 (1,1,-2)
20.86 4.2593 37.9 (1,-1,1)
24.88 3.5781 1.0 (1,0,1)
25.47 3.4967 43.6 (3,2,-3)
25.50 3.4937 43.5 (2,3,-2)
25.52 3.4906 43.8 (1,-1,-1)
33.15 2.7026 50.0 (2,3,-4)
33.15 2.7026 50.0 (4,1,-2)
33.17 2.7012 100.0 (1,4,-3)
33.18 2.6998 99.3 (0,0,2)
42.45 2.1296 34.0 (2,-2,2)
44.90 2.0188 28.4 (5,5,-5)
44.94 2.0171 28.3 (4,1,-4)
44.98 2.0154 28.3 (1,4,-1)
50.00 1.8243 8.5 (4,6,-6)
50.03 1.8230 8.6 (3,2,-5)
50.07 1.8217 8.5 (2,3,0)
50.16 1.8189 7.1 (1,4,-5)
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Energy Properties

Formation Energy/atom
-0.71072
eV/atom
Energy/atom
-17.59651
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.5965
eV/atom
Volume/atom
22.23
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
0.0005
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 · 0.593
Element Family
Metalloid-Nonmetal
Solute Fraction
0.407
Interstitial Fraction
0.593

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8000
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.6513
J/mol·K
Ω Parameter
0.2968
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
22.673%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3679
smaller = more stable mixing
VEC
3.889
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-34.189
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7282
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.622
Family
Interstitial Alloy
Matrix Element
Si · 0.593

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291611
Reference Citation

The crystal structure and related material properties of Nd10Si16Ag were obtained from the Materials Project database (MP-ID: mp-3291611, 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_Nd10Si16Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.50163957
_cell_length_b   11.49565844
_cell_length_c   11.50164082
_cell_angle_alpha   144.65579679
_cell_angle_beta   136.52953914
_cell_angle_gamma   57.22931819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd10Si16Ag
_chemical_formula_sum   'Nd10 Si16 Ag1'
_cell_volume   600.30412651
_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  0.05148727  0.56635025  0.02076172  1.0
  Nd  Nd1  1  0.35144238  0.36735136  0.51859267  1.0
  Nd  Nd2  1  0.15357462  0.16342725  0.51761421  1.0
  Nd  Nd3  1  0.45186565  0.96551997  0.01683326  1.0
  Nd  Nd4  1  0.64581404  0.16342725  0.00985363  1.0
  Nd  Nd5  1  0.94868671  0.96551997  0.51365432  1.0
  Nd  Nd6  1  0.84875869  0.36735136  0.01590898  1.0
  Nd  Nd7  1  0.54558853  0.56635025  0.51486298  1.0
  Nd  Nd8  1  0.25277808  0.76859356  0.01807449  1.0
  Nd  Nd9  1  0.75051907  0.76859356  0.51581548  1.0
  Si  Si10  1  0.10805522  0.04841100  0.94035578  1.0
  Si  Si11  1  0.79687110  0.20488820  0.40801709  1.0
  Si  Si12  1  0.29972631  0.90071106  0.60098575  1.0
  Si  Si13  1  0.40015080  0.50170528  0.10155448  1.0
  Si  Si14  1  0.89213503  0.84794956  0.95581453  1.0
  Si  Si15  1  0.10176603  0.70306132  0.60129629  1.0
  Si  Si16  1  0.19891514  0.61141541  0.41250027  1.0
  Si  Si17  1  0.69969884  0.29732175  0.59762391  1.0
  Si  Si18  1  0.00218308  0.43133886  0.42915677  1.0
  Si  Si19  1  0.70522652  0.64637941  0.94115289  1.0
  Si  Si20  1  0.60076391  0.70069221  0.09992730  1.0
  Si  Si21  1  0.00028831  0.09020691  0.08991860  1.0
  Si  Si22  1  0.50107988  0.41839779  0.91731790  1.0
  Si  Si23  1  0.29500308  0.23902748  0.94402440  1.0
  Si  Si24  1  0.59356102  0.03414541  0.44058339  1.0
  Si  Si25  1  0.40510477  0.84758015  0.44247438  1.0
  Ag  Ag26  1  0.89895391  0.50320042  0.60424652  1.0
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