Navigation

HEAS Data Platform · Materials Science Database

YSi3Ni

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10284 · Space group: Cmmm (#65)

Basic Information

Formula
YSi3Ni
MP-ID
mp-10284
Elements
3
Sites
10
Density
4.7425
g/cm³
Volume
162.36
ų
Cell a
3.9162
Å
Cell b
3.9601
Å
Cell c
10.6508
Å
α Angle
90.00
°
β Angle
100.59
°
γ Angle
90.00
°
Space Group
Cmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic 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
8.45 10.4692 12.6 (0,0,1)
16.94 5.2346 55.6 (0,0,2)
23.11 3.8494 1.5 (1,0,0)
24.03 3.7040 10.1 (0,1,1)
26.09 3.4153 7.0 (1,0,1)
26.09 3.4153 7.0 (1,0,-2)
31.27 2.8603 18.6 (1,0,2)
31.27 2.8603 18.6 (1,0,-3)
32.44 2.7603 18.8 (1,1,0)
34.25 2.6182 68.6 (0,1,3)
34.26 2.6173 7.2 (0,0,4)
34.68 2.5863 100.0 (1,1,1)
34.68 2.5863 100.0 (1,1,-2)
37.85 2.3771 9.6 (1,0,3)
38.84 2.3188 2.8 (1,1,2)
41.35 2.1835 21.3 (0,1,4)
44.45 2.0381 6.8 (1,1,3)
44.45 2.0381 6.8 (1,1,-4)
45.34 2.0002 27.6 (1,0,4)
45.34 2.0002 27.6 (1,0,-5)
45.83 1.9801 46.6 (0,2,0)
46.37 1.9581 45.0 (2,0,-1)
49.20 1.8520 6.9 (0,2,2)
49.23 1.8510 13.1 (0,1,5)
Get direct link

Energy Properties

Formation Energy/atom
-0.68064
eV/atom
Energy/atom
-6.39368
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.4271
eV/atom
Volume/atom
16.24
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
120.066
GPa
GVRH
85.329
GPa
Young's Modulus E
206.959
GPa
Poisson Ratio ν
0.213
Pugh Ratio K/G
1.407
Vickers Hardness Est.
15.079
GPa
Ductility
Ductile
Anisotropy
0.146
Lame λ
63.180
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.600

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9503
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9005
J/mol·K
Ω Parameter
0.3087
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
18.816%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2730
smaller = more stable mixing
VEC
5.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-43.960
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8650
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.574
Family
Interstitial Alloy
Matrix Element
Si · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1460
Homogeneous Poisson ν
0.2130
Debye Temperature
551.2
K
Sound Velocity
4,689.3
m/s
Homogeneity
0.2130

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10284
Reference Citation

The crystal structure and related material properties of YSi3Ni were obtained from the Materials Project database (MP-ID: mp-10284, 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_YSi3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91619474
_cell_length_b   3.96013567
_cell_length_c   10.65076275
_cell_angle_alpha   90.00000000
_cell_angle_beta   100.59383679
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi3Ni
_chemical_formula_sum   'Y2 Si6 Ni2'
_cell_volume   162.36362860
_cell_formula_units_Z   2
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
  Y  Y0  1  0.33123766  0.50000000  0.66247532  1.0
  Y  Y1  1  0.66876234  0.50000000  0.33752468  1.0
  Si  Si2  1  0.44383174  -0.00000000  0.88766248  1.0
  Si  Si3  1  0.55616826  -0.00000000  0.11233652  1.0
  Si  Si4  1  0.21752986  -0.00000000  0.43505873  1.0
  Si  Si5  1  0.78247014  0.00000000  0.56494127  1.0
  Si  Si6  1  0.94381545  0.50000000  0.88763090  1.0
  Si  Si7  1  0.05618355  0.50000000  0.11236910  1.0
  Ni  Ni8  1  0.10983114  -0.00000000  0.21966329  1.0
  Ni  Ni9  1  0.89016886  0.00000000  0.78033671  1.0
Get direct link