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Y3Ho7BiPb5

High-Entropy Materials HEA

MP-ID: mp-3254515 · Space group: Amm2 (#38)

Basic Information

Formula
Y3Ho7BiPb5
MP-ID
mp-3254515
Elements
4
Sites
16
Density
9.6134
g/cm³
Volume
460.54
ų
Cell a
9.0020
Å
Cell b
9.0031
Å
Cell c
6.5612
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
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
11.35 7.7972 11.8 (0,1,-1,0)
11.35 7.7963 10.4 (1,-1,0,0)
11.35 7.7963 10.4 (1,0,-1,0)
13.50 6.5612 4.8 (0,0,0,1)
17.67 5.0200 1.5 (1,0,-1,1)
19.72 4.5016 2.7 (1,1,-2,0)
19.72 4.5010 1.3 (2,-1,-1,0)
23.97 3.7119 22.4 (1,1,-2,1)
23.98 3.7116 10.8 (2,-1,-1,1)
27.18 3.2806 38.8 (0,0,0,2)
29.54 3.0239 5.4 (0,1,-1,2)
29.54 3.0238 10.1 (1,0,-1,2)
30.33 2.9470 16.4 (1,2,-3,0)
30.33 2.9469 14.7 (2,1,-3,0)
30.33 2.9466 14.3 (3,-1,-2,0)
33.33 2.6883 56.1 (1,2,-3,1)
33.33 2.6882 56.9 (2,1,-3,1)
33.33 2.6880 57.8 (3,-1,-2,1)
33.81 2.6513 100.0 (1,1,-2,2)
33.81 2.6511 50.4 (2,-1,-1,2)
34.51 2.5991 29.2 (0,3,-3,0)
34.51 2.5988 57.1 (3,0,-3,0)
35.77 2.5101 9.0 (0,2,-2,2)
35.77 2.5100 19.7 (2,0,-2,2)
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Energy Properties

Formation Energy/atom
-0.73279
eV/atom
Energy/atom
-40.17267
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.1727
eV/atom
Volume/atom
28.78
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
0.0026
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.438
Element Family
Lanthanide
Solute Fraction
0.563
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2123
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0792
J/mol·K
Ω Parameter
1.8358
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
2.474%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5139
smaller = more stable mixing
VEC
6.938
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-7.234
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8745
SS Former
1
Phase Tendency
SS

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3254515
Reference Citation

The crystal structure and related material properties of Y3Ho7BiPb5 were obtained from the Materials Project database (MP-ID: mp-3254515, 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_Y3Ho7BiPb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00203861
_cell_length_b   9.00311473
_cell_length_c   6.56119681
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99605332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Ho7BiPb5
_chemical_formula_sum   'Y3 Ho7 Bi1 Pb5'
_cell_volume   460.53710068
_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
  Y  Y0  1  0.23868044  0.00000000  0.25000000  1.0
  Y  Y1  1  0.00406879  0.24207674  0.25000000  1.0
  Y  Y2  1  0.76199106  0.75792326  0.25000000  1.0
  Ho  Ho3  1  0.33071798  0.66380590  0.99894077  1.0
  Ho  Ho4  1  0.66691309  0.33619410  0.50105923  1.0
  Ho  Ho5  1  0.66691309  0.33619410  0.99894077  1.0
  Ho  Ho6  1  0.33071798  0.66380590  0.50105923  1.0
  Ho  Ho7  1  0.23863825  0.23922690  0.75000000  1.0
  Ho  Ho8  1  0.99941035  0.76077310  0.75000000  1.0
  Ho  Ho9  1  0.76121819  1.00000000  0.75000000  1.0
  Bi  Bi10  1  0.60841579  0.00000000  0.25000000  1.0
  Pb  Pb11  1  0.60682514  0.60862538  0.75000000  1.0
  Pb  Pb12  1  0.99819976  0.39137462  0.75000000  1.0
  Pb  Pb13  1  0.00049974  0.60597058  0.25000000  1.0
  Pb  Pb14  1  0.39452916  0.39402942  0.25000000  1.0
  Pb  Pb15  1  0.39226219  1.00000000  0.75000000  1.0
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