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Dy6Ni2Sn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1106355 · Space group: Immm (#71)

Basic Information

Formula
Dy6Ni2Sn
MP-ID
mp-1106355
Elements
3
Sites
18
Density
8.8005
g/cm³
Volume
457.04
ų
Cell a
8.4161
Å
Cell b
8.4161
Å
Cell c
8.4161
Å
α Angle
112.94
°
β Angle
109.90
°
γ Angle
105.65
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.21 6.7010 1.8 (1,-1,0)
25.97 3.4312 11.6 (2,0,-2)
26.60 3.3505 3.6 (2,-2,0)
27.89 3.1991 15.9 (1,2,-2)
28.01 3.1851 5.5 (2,1,-2)
29.07 3.0716 17.7 (1,-2,2)
29.34 3.0444 3.6 (2,-2,1)
30.14 2.9647 2.9 (2,-1,-2)
30.28 2.9513 28.4 (2,-2,-1)
31.99 2.7978 100.0 (3,-1,-1)
34.02 2.6354 36.7 (2,1,-3)
34.33 2.6121 55.7 (1,-3,2)
35.01 2.5628 32.4 (2,-3,1)
35.16 2.5526 1.3 (3,-1,-2)
35.30 2.5426 16.5 (2,2,-2)
35.52 2.5271 22.2 (3,-2,-1)
37.21 2.4165 10.3 (2,-2,2)
37.85 2.3772 6.8 (2,2,-3)
38.74 2.3245 17.6 (2,-2,-2)
39.39 2.2875 15.6 (3,0,-3)
40.07 2.2502 14.2 (1,3,-3)
40.43 2.2308 2.2 (3,1,-3)
41.37 2.1826 3.9 (1,-3,3)
43.19 2.0948 1.4 (3,-3,-1)
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Energy Properties

Formation Energy/atom
-0.39285
eV/atom
Energy/atom
-5.20175
eV/atom
Energy above Hull
0.0177
eV/atom
Uncorrected Energy
-5.2018
eV/atom
Volume/atom
25.39
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
0.0003
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
Dy · 0.667
Element Family
Lanthanide
Solute Fraction
0.333
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8487
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.0560
J/mol·K
Ω Parameter
6.1921
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.117%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3334
smaller = more stable mixing
VEC
9.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.778
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7725
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.620
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.667

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1106355
Reference Citation

The crystal structure and related material properties of Dy6Ni2Sn were obtained from the Materials Project database (MP-ID: mp-1106355, 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_Dy6Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41612968
_cell_length_b   8.41612968
_cell_length_c   8.41612968
_cell_angle_alpha   112.93766870
_cell_angle_beta   109.90399260
_cell_angle_gamma   105.65387948
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy6Ni2Sn
_chemical_formula_sum   'Dy12 Ni4 Sn2'
_cell_volume   457.03796798
_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
  Dy  Dy0  1  0.02839700  0.73200500  0.29639100  1.0
  Dy  Dy1  1  0.97160300  0.26799500  0.70360900  1.0
  Dy  Dy2  1  0.56438600  0.26799500  0.29639100  1.0
  Dy  Dy3  1  0.43561400  0.73200500  0.70360900  1.0
  Dy  Dy4  1  0.67658500  0.86725000  0.19066500  1.0
  Dy  Dy5  1  0.32341500  0.51408000  0.19066500  1.0
  Dy  Dy6  1  0.32341500  0.13275000  0.80933500  1.0
  Dy  Dy7  1  0.67658500  0.48592000  0.80933500  1.0
  Dy  Dy8  1  0.18383100  0.20774100  0.39157200  1.0
  Dy  Dy9  1  0.81616900  0.20774100  0.02390900  1.0
  Dy  Dy10  1  0.18383100  0.79225900  0.97609100  1.0
  Dy  Dy11  1  0.81616900  0.79225900  0.60842800  1.0
  Ni  Ni12  1  0.64602700  0.50000000  0.14602700  1.0
  Ni  Ni13  1  0.35397300  0.50000000  0.85397300  1.0
  Ni  Ni14  1  0.87780000  0.87780000  0.00000000  1.0
  Ni  Ni15  1  0.12220000  0.12220000  0.00000000  1.0
  Sn  Sn16  1  0.00000000  0.50000000  0.50000000  1.0
  Sn  Sn17  1  0.50000000  0.00000000  0.50000000  1.0
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