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Dy8Ho4Ni6Bi

High-Entropy Materials HEA

MP-ID: mp-3295946 · Space group: Immm (#71)

Basic Information

Formula
Dy8Ho4Ni6Bi
MP-ID
mp-3295946
Elements
4
Sites
19
Density
9.2350
g/cm³
Volume
453.27
ų
Cell a
8.3816
Å
Cell b
8.3816
Å
Cell c
8.3816
Å
α Angle
109.44
°
β Angle
109.50
°
γ Angle
109.47
°
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
18.33 4.8408 2.2 (1,-1,-1)
18.33 4.8393 1.8 (1,1,-1)
18.34 4.8373 1.9 (1,-1,1)
22.50 3.9512 1.6 (1,1,0)
22.51 3.9504 1.1 (2,-1,0)
26.04 3.4224 3.7 (0,2,0)
26.04 3.4217 3.6 (0,0,2)
26.05 3.4212 3.5 (2,0,0)
29.17 3.0615 34.3 (1,-2,-1)
29.17 3.0614 5.0 (1,-1,-2)
29.18 3.0607 5.1 (1,2,-1)
29.18 3.0605 34.3 (2,1,-1)
29.19 3.0596 34.8 (1,-1,2)
29.19 3.0595 4.7 (2,-1,1)
32.04 2.7939 100.0 (1,1,1)
34.67 2.5872 76.7 (0,2,1)
34.68 2.5869 6.7 (0,1,2)
34.68 2.5869 1.6 (1,2,0)
34.68 2.5869 4.9 (3,0,-2)
34.68 2.5865 19.3 (2,1,0)
34.68 2.5865 57.8 (3,0,-1)
34.69 2.5863 77.0 (1,0,2)
34.69 2.5861 7.0 (2,0,1)
37.15 2.4204 12.7 (2,-2,-2)
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Energy Properties

Formation Energy/atom
-0.42042
eV/atom
Energy/atom
-27.67160
eV/atom
Energy above Hull
0.0001
eV/atom
Uncorrected Energy
-27.6716
eV/atom
Volume/atom
23.86
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
0.1433
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000320
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.421
Element Family
Lanthanide
Solute Fraction
0.579
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2112
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0700
J/mol·K
Ω Parameter
20.7864
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.803%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3396
smaller = more stable mixing
VEC
9.947
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.798
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8737
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3295946
Reference Citation

The crystal structure and related material properties of Dy8Ho4Ni6Bi were obtained from the Materials Project database (MP-ID: mp-3295946, 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_Dy8Ho4Ni6Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38160981
_cell_length_b   8.38160932
_cell_length_c   8.38160970
_cell_angle_alpha   109.44278428
_cell_angle_beta   109.50186540
_cell_angle_gamma   109.46901247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy8Ho4Ni6Bi
_chemical_formula_sum   'Dy8 Ho4 Ni6 Bi1'
_cell_volume   453.27347723
_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
  Dy  Dy0  1  0.81165602  0.69235734  0.50401436  1.0
  Dy  Dy1  1  0.18834398  0.30764266  0.49598564  1.0
  Dy  Dy2  1  0.18834398  0.69235734  0.88070133  1.0
  Dy  Dy3  1  0.81165602  0.30764266  0.11929867  1.0
  Dy  Dy4  1  0.69227271  0.50396446  0.81168875  1.0
  Dy  Dy5  1  0.30772729  0.49603554  0.18831125  1.0
  Dy  Dy6  1  0.69227271  0.88058395  0.18831125  1.0
  Dy  Dy7  1  0.30772729  0.11941605  0.81168875  1.0
  Ho  Ho8  1  0.50351765  0.81182380  0.69169185  1.0
  Ho  Ho9  1  0.49648235  0.18817620  0.30830815  1.0
  Ho  Ho10  1  0.12013095  0.81182380  0.30830815  1.0
  Ho  Ho11  1  0.87986905  0.18817620  0.69169185  1.0
  Ni  Ni12  1  0.87601387  0.37601387  0.50000000  1.0
  Ni  Ni13  1  0.12398613  0.62398613  0.50000000  1.0
  Ni  Ni14  1  0.37585400  0.50000000  0.87585400  1.0
  Ni  Ni15  1  0.62414600  0.50000000  0.12414600  1.0
  Ni  Ni16  1  0.50000000  0.87657536  0.37657536  1.0
  Ni  Ni17  1  0.50000000  0.12342464  0.62342464  1.0
  Bi  Bi18  1  0.00000000  0.00000000  0.00000000  1.0
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