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YbDy2ErNi8

High-Entropy Materials HEA

MP-ID: mp-3294859 · Space group: R3m (#160)

Basic Information

Formula
YbDy2ErNi8
MP-ID
mp-3294859
Elements
4
Sites
12
Density
10.8456
g/cm³
Volume
173.75
ų
Cell a
4.9688
Å
Cell b
4.9705
Å
Cell c
8.6118
Å
α Angle
73.28
°
β Angle
90.00
°
γ Angle
119.99
°
Space Group
R3m
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
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
21.88 4.0614 16.1 (0,0,2)
21.89 4.0606 16.3 (0,1,0)
21.91 4.0572 32.5 (1,-1,-1)
36.10 2.4879 49.6 (0,1,-2)
36.14 2.4856 99.0 (1,-1,-3)
36.14 2.4853 100.0 (1,-2,-1)
36.16 2.4844 50.0 (2,-1,0)
42.63 2.1210 38.1 (1,-1,3)
42.63 2.1210 38.1 (1,0,-3)
42.63 2.1208 76.4 (1,-2,1)
42.66 2.1196 38.0 (0,1,4)
42.66 2.1193 76.3 (2,-1,2)
42.66 2.1193 38.3 (0,2,2)
42.66 2.1192 38.3 (2,-2,0)
42.66 2.1192 38.3 (2,0,0)
42.67 2.1189 76.3 (1,-2,-3)
44.62 2.0307 17.1 (0,0,4)
44.63 2.0303 17.1 (0,2,0)
44.67 2.0286 34.1 (2,-2,-2)
52.02 1.7580 1.8 (2,-2,2)
57.05 1.6143 1.3 (0,1,-4)
57.06 1.6142 1.4 (0,2,-2)
57.09 1.6133 2.7 (1,0,5)
57.10 1.6130 1.4 (1,-3,-1)
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Energy Properties

Formation Energy/atom
-0.44159
eV/atom
Energy/atom
-19.63094
eV/atom
Energy above Hull
0.0028
eV/atom
Uncorrected Energy
-19.6309
eV/atom
Volume/atom
14.48
ų
c/a Ratio
1.7332

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0045
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ni · 0.667
Element Family
3d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9831
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1734
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.051%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3386
smaller = more stable mixing
VEC
10.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7091
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3294859
Reference Citation

The crystal structure and related material properties of YbDy2ErNi8 were obtained from the Materials Project database (MP-ID: mp-3294859, 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_YbDy2ErNi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96877172
_cell_length_b   4.97051599
_cell_length_c   8.61177653
_cell_angle_alpha   73.27785465
_cell_angle_beta   90.00000001
_cell_angle_gamma   119.98839867
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbDy2ErNi8
_chemical_formula_sum   'Yb1 Dy2 Er1 Ni8'
_cell_volume   173.75285068
_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
  Yb  Yb0  1  0.87358085  0.74716070  0.37895918  1.0
  Dy  Dy1  1  0.99737661  0.99475322  0.00781748  1.0
  Dy  Dy2  1  0.50234126  0.00468251  0.49260494  1.0
  Er  Er3  1  0.37628357  0.75256915  0.87120610  1.0
  Ni  Ni4  1  0.43629538  0.37677171  0.18706556  1.0
  Ni  Ni5  1  0.93746642  0.37425213  0.68818880  1.0
  Ni  Ni6  1  0.43637210  0.87274519  0.18700620  1.0
  Ni  Ni7  1  0.93754926  0.87509953  0.68825425  1.0
  Ni  Ni8  1  0.18789478  0.37579156  0.43621728  1.0
  Ni  Ni9  1  0.68757673  0.37515245  0.93742485  1.0
  Ni  Ni10  1  0.94047533  0.37677171  0.18706556  1.0
  Ni  Ni11  1  0.43678471  0.37425213  0.68818880  1.0
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