Navigation

HEAS Data Platform · Materials Science Database

Yb6Dy4SnPb7

High-Entropy Materials HEA

MP-ID: mp-3292858 · Space group: Pmc2_1 (#26)

Basic Information

Formula
Yb6Dy4SnPb7
MP-ID
mp-3292858
Elements
4
Sites
36
Density
10.1525
g/cm³
Volume
1,065.55
ų
Cell a
7.8446
Å
Cell b
8.4903
Å
Cell c
15.9985
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmc2_1
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
5.52 15.9985 2.5 (0,0,1)
11.80 7.4996 1.8 (0,1,1)
15.38 5.7617 5.0 (1,1,0)
18.98 4.6752 10.6 (1,1,2)
20.93 4.2451 1.5 (0,2,0)
22.23 3.9996 2.8 (0,0,4)
22.67 3.9223 1.7 (2,0,0)
22.72 3.9137 6.4 (1,1,3)
28.24 3.1597 1.9 (2,0,3)
29.20 3.0585 78.8 (1,2,3)
29.84 2.9941 1.9 (0,1,5)
30.18 2.9613 100.0 (2,1,3)
30.71 2.9111 36.9 (0,2,4)
31.04 2.8809 19.6 (2,2,0)
31.56 2.8353 16.9 (2,2,1)
31.96 2.8004 3.4 (2,0,4)
31.99 2.7973 34.8 (1,1,5)
32.12 2.7868 2.7 (0,3,1)
32.82 2.7292 29.3 (1,2,4)
33.05 2.7105 7.4 (2,2,2)
33.61 2.6664 29.4 (0,0,6)
33.67 2.6622 17.9 (1,3,0)
33.70 2.6595 14.6 (2,1,4)
34.14 2.6260 43.1 (1,3,1)
Get direct link

Energy Properties

Formation Energy/atom
-0.59424
eV/atom
Energy/atom
-43.14121
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-43.1412
eV/atom
Volume/atom
29.60
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
5.0910
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.004780
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pb · 0.389
Element Family
PostTransition-Noble
Solute Fraction
0.611
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2283
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2122
J/mol·K
Ω Parameter
118.2433
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
3.166%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5719
smaller = more stable mixing
VEC
8.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.086
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8860
SS Former
1
Phase Tendency
SS

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3292858
Reference Citation

The crystal structure and related material properties of Yb6Dy4SnPb7 were obtained from the Materials Project database (MP-ID: mp-3292858, 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_Yb6Dy4SnPb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84461838
_cell_length_b   8.49027868
_cell_length_c   15.99847358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb6Dy4SnPb7
_chemical_formula_sum   'Yb12 Dy8 Sn2 Pb14'
_cell_volume   1065.54627499
_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
  Yb  Yb0  1  0.50391106  0.69269383  0.59214102  1.0
  Yb  Yb1  1  0.00391106  0.80730617  0.90785898  1.0
  Yb  Yb2  1  0.49515098  0.30590023  0.09462950  1.0
  Yb  Yb3  1  0.99515098  0.19409977  0.40537050  1.0
  Yb  Yb4  1  0.49515098  0.30590023  0.40537050  1.0
  Yb  Yb5  1  0.99515098  0.19409977  0.09462950  1.0
  Yb  Yb6  1  0.50391106  0.69269383  0.90785898  1.0
  Yb  Yb7  1  0.00391106  0.80730617  0.59214102  1.0
  Yb  Yb8  1  0.83593655  0.51064716  0.75000000  1.0
  Yb  Yb9  1  0.33593655  0.98935284  0.75000000  1.0
  Yb  Yb10  1  0.16371774  0.48631943  0.25000000  1.0
  Yb  Yb11  1  0.66371774  0.01368057  0.25000000  1.0
  Dy  Dy12  1  0.67554381  0.16148696  0.62167256  1.0
  Dy  Dy13  1  0.17554381  0.33851304  0.87832744  1.0
  Dy  Dy14  1  0.32558371  0.83915023  0.12227998  1.0
  Dy  Dy15  1  0.82558371  0.66084977  0.37772002  1.0
  Dy  Dy16  1  0.32558371  0.83915023  0.37772002  1.0
  Dy  Dy17  1  0.82558371  0.66084977  0.12227998  1.0
  Dy  Dy18  1  0.67554381  0.16148696  0.87832744  1.0
  Dy  Dy19  1  0.17554381  0.33851304  0.62167256  1.0
  Sn  Sn20  1  0.28103655  0.12918938  0.25000000  1.0
  Sn  Sn21  1  0.78103655  0.37081062  0.25000000  1.0
  Pb  Pb22  1  0.67895363  0.96488686  0.45659953  1.0
  Pb  Pb23  1  0.17895363  0.53511314  0.04340047  1.0
  Pb  Pb24  1  0.32234519  0.03549509  0.95761728  1.0
  Pb  Pb25  1  0.82234519  0.46450491  0.54238272  1.0
  Pb  Pb26  1  0.32234519  0.03549509  0.54238272  1.0
  Pb  Pb27  1  0.82234519  0.46450491  0.95761728  1.0
  Pb  Pb28  1  0.67895363  0.96488686  0.04340047  1.0
  Pb  Pb29  1  0.17895363  0.53511314  0.45659953  1.0
  Pb  Pb30  1  0.47629032  0.37158261  0.75000000  1.0
  Pb  Pb31  1  0.97629032  0.12841739  0.75000000  1.0
  Pb  Pb32  1  0.52407794  0.62636549  0.25000000  1.0
  Pb  Pb33  1  0.02407794  0.87363451  0.25000000  1.0
  Pb  Pb34  1  0.71596313  0.86466828  0.75000000  1.0
  Pb  Pb35  1  0.21596313  0.63533172  0.75000000  1.0
Get direct link