Yb8Ge(Pd11Pb)2

High-Entropy Materials HEA

MP-ID: mp-3294563 · Space group: Pmm2 (#25)

Materials Project API

Basic Information

Formula

Yb8Ge(Pd11Pb)2

MP-ID

mp-3294563

Elements

Sites

Density

12.3768

g/cm³

Volume

565.19

Å³

Cell a

8.0179

Cell b

8.4187

Cell c

8.3731

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 21)

2θ	d (Å)	I	hkl
11.04	8.0179	1.0	(1,0,0)
22.17	4.0089	1.9	(2,0,0)
26.24	3.3958	1.3	(1,1,2)
30.11	2.9684	3.4	(0,2,2)
30.88	2.8955	1.1	(2,0,2)
32.71	2.7381	1.2	(2,1,2)
33.84	2.6487	1.8	(1,3,0)
37.71	2.3856	100.0	(2,2,2)
39.19	2.2990	1.7	(2,3,0)
41.50	2.1762	1.2	(3,1,2)
42.97	2.1047	17.7	(0,4,0)
43.22	2.0933	18.6	(0,0,4)
45.24	2.0045	15.8	(4,0,0)
60.37	1.5333	1.0	(1,5,2)
62.59	1.4842	10.9	(0,4,4)
64.16	1.4515	9.8	(4,4,0)
64.35	1.4478	10.4	(4,0,4)
75.26	1.2627	10.3	(2,6,2)
75.60	1.2577	11.8	(2,2,6)
78.49	1.2185	10.0	(6,2,2)
80.53	1.1928	9.7	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.86104

eV/atom

Energy/atom

-28.85519

eV/atom

Energy above Hull

0.0566

eV/atom

Uncorrected Energy

-28.8552

eV/atom

Volume/atom

17.13

Å³

c/a Ratio

1.0443

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.667

Element Family

4d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8897

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.3969

J/mol·K

Ω Parameter

6.2640

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.029%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4748

smaller = more stable mixing

VEC

10.424

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.839

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6418

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflpz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294563

Reference Citation

The crystal structure and related material properties of Yb8Ge(Pd11Pb)2 were obtained from the Materials Project database (MP-ID: mp-3294563, 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

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Yb8Ge(Pd11Pb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01788642
_cell_length_b   8.41869756
_cell_length_c   8.37311412
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb8Ge(Pd11Pb)2
_chemical_formula_sum   'Yb8 Ge1 Pd22 Pb2'
_cell_volume   565.18654970
_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  0.25105997  0.22249532  0.25261747  1.0
  Yb  Yb1  1  0.74638370  0.74544424  0.74554541  1.0
  Yb  Yb2  1  0.74638370  0.74544424  0.25445459  1.0
  Yb  Yb3  1  0.74638370  0.25455576  0.74554541  1.0
  Yb  Yb4  1  0.25105997  0.22249532  0.74738253  1.0
  Yb  Yb5  1  0.25105997  0.77750468  0.25261747  1.0
  Yb  Yb6  1  0.25105997  0.77750468  0.74738253  1.0
  Yb  Yb7  1  0.74638370  0.25455576  0.25445459  1.0
  Ge  Ge8  1  0.00386600  0.00000000  0.00000000  1.0
  Pd  Pd9  1  0.74041507  0.50000000  0.00000000  1.0
  Pd  Pd10  1  0.00152162  0.25450761  0.50000000  1.0
  Pd  Pd11  1  0.50109594  0.25793374  0.00000000  1.0
  Pd  Pd12  1  0.00152162  0.74549239  0.50000000  1.0
  Pd  Pd13  1  0.50109594  0.74206626  0.00000000  1.0
  Pd  Pd14  1  0.50669317  0.00000000  0.26119504  1.0
  Pd  Pd15  1  0.25586090  0.00000000  0.50000000  1.0
  Pd  Pd16  1  0.50669317  0.00000000  0.73880496  1.0
  Pd  Pd17  1  0.73834136  0.00000000  0.50000000  1.0
  Pd  Pd18  1  0.00861214  0.50000000  0.25694490  1.0
  Pd  Pd19  1  0.00861214  0.50000000  0.74305510  1.0
  Pd  Pd20  1  0.74817244  0.50000000  0.50000000  1.0
  Pd  Pd21  1  0.49697573  0.24892297  0.50000000  1.0
  Pd  Pd22  1  0.49697573  0.75107703  0.50000000  1.0
  Pd  Pd23  1  0.49413555  0.50000000  0.25492527  1.0
  Pd  Pd24  1  0.49413555  0.50000000  0.74507473  1.0
  Pd  Pd25  1  0.29989199  0.00000000  0.00000000  1.0
  Pd  Pd26  1  0.70951885  0.00000000  0.00000000  1.0
  Pd  Pd27  1  0.99871471  0.28410771  0.00000000  1.0
  Pd  Pd28  1  0.99871471  0.71589229  0.00000000  1.0
  Pd  Pd29  1  0.98962987  0.00000000  0.28586600  1.0
  Pd  Pd30  1  0.98962987  0.00000000  0.71413400  1.0
  Pb  Pb31  1  0.26544358  0.50000000  0.00000000  1.0
  Pb  Pb32  1  0.25395567  0.50000000  0.50000000  1.0

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