Yb8Ga(GePd11)2

High-Entropy Materials HEA

MP-ID: mp-3292348 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Yb8Ga(GePd11)2

MP-ID

mp-3292348

Elements

Sites

Density

11.9572

g/cm³

Volume

547.24

Å³

Cell a

8.3500

Cell b

8.0168

Cell c

8.1750

α Angle

89.94

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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 24)

2θ	d (Å)	I	hkl
21.28	4.1750	3.0	(2,0,0)
21.74	4.0875	2.2	(0,0,2)
22.18	4.0084	2.0	(0,2,0)
30.61	2.9208	5.0	(2,0,2)
30.93	2.8915	5.7	(2,2,0)
31.24	2.8634	3.4	(0,2,2)
31.27	2.8605	3.3	(0,2,-2)
32.16	2.7834	1.2	(3,0,0)
32.87	2.7250	1.2	(0,0,3)
34.03	2.6348	1.1	(3,0,1)
34.63	2.5905	1.2	(1,0,3)
34.76	2.5808	1.3	(0,1,3)
35.26	2.5451	1.2	(1,3,0)
38.11	2.3614	96.8	(2,2,2)
38.14	2.3597	100.0	(2,2,-2)
40.06	2.2507	1.7	(2,3,0)
40.99	2.2021	1.1	(3,2,1)
41.61	2.1705	1.7	(2,3,1)
43.35	2.0875	37.3	(4,0,0)
44.32	2.0438	33.0	(0,0,4)
45.24	2.0042	30.9	(0,4,0)
45.44	1.9958	1.4	(3,2,2)
45.47	1.9948	1.2	(3,2,-2)
45.73	1.9838	2.0	(2,2,3)

Get direct link

Energy Properties

Formation Energy/atom

-0.91478

eV/atom

Energy/atom

-26.26483

eV/atom

Energy above Hull

0.0462

eV/atom

Uncorrected Energy

-26.2648

eV/atom

Volume/atom

16.58

Å³

c/a Ratio

0.9790

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0039

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

2.6989

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.669%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4648

smaller = more stable mixing

VEC

10.394

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.295

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6418

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiiu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292348

Reference Citation

The crystal structure and related material properties of Yb8Ga(GePd11)2 were obtained from the Materials Project database (MP-ID: mp-3292348, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Yb8Ga(GePd11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35003747
_cell_length_b   8.01684470
_cell_length_c   8.17499047
_cell_angle_alpha   89.94112617
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb8Ga(GePd11)2
_chemical_formula_sum   'Yb8 Ga1 Ge2 Pd22'
_cell_volume   547.24136957
_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  0.25632087  0.24228556  0.73692883  1.0
  Yb  Yb1  1  0.25100083  0.74805496  0.24756620  1.0
  Yb  Yb2  1  0.76049231  0.25291540  0.26597192  1.0
  Yb  Yb3  1  0.73339642  0.75728151  0.75413418  1.0
  Yb  Yb4  1  0.74899917  0.74805496  0.24756620  1.0
  Yb  Yb5  1  0.74367913  0.24228556  0.73692883  1.0
  Yb  Yb6  1  0.26660358  0.75728151  0.75413418  1.0
  Yb  Yb7  1  0.23950769  0.25291540  0.26597192  1.0
  Ga  Ga8  1  0.00000000  0.98613423  0.00922324  1.0
  Ge  Ge9  1  0.00000000  0.50294505  0.70579908  1.0
  Ge  Ge10  1  0.50000000  0.27752637  0.00886197  1.0
  Pd  Pd11  1  0.50000000  0.49043517  0.75024369  1.0
  Pd  Pd12  1  0.50000000  0.25317801  0.49860455  1.0
  Pd  Pd13  1  0.25409446  0.50343409  0.51060941  1.0
  Pd  Pd14  1  0.50000000  0.48978506  0.25526446  1.0
  Pd  Pd15  1  0.50000000  0.74474586  0.49718840  1.0
  Pd  Pd16  1  0.74590554  0.50343409  0.51060941  1.0
  Pd  Pd17  1  0.00000000  0.99673725  0.71688880  1.0
  Pd  Pd18  1  0.00000000  0.29316291  0.97038805  1.0
  Pd  Pd19  1  0.29250872  0.02743546  0.00364659  1.0
  Pd  Pd20  1  0.00000000  0.99821578  0.29963445  1.0
  Pd  Pd21  1  0.00000000  0.68280043  0.96531315  1.0
  Pd  Pd22  1  0.70749128  0.02743546  0.00364659  1.0
  Pd  Pd23  1  0.25934358  0.99391838  0.50018975  1.0
  Pd  Pd24  1  0.00000000  0.26198807  0.51243295  1.0
  Pd  Pd25  1  0.50000000  0.00573295  0.74165019  1.0
  Pd  Pd26  1  0.26815109  0.48506401  0.99936613  1.0
  Pd  Pd27  1  0.00000000  0.50176858  0.25335706  1.0
  Pd  Pd28  1  0.50000000  0.74792212  0.00637235  1.0
  Pd  Pd29  1  0.00000000  0.73804282  0.51021782  1.0
  Pd  Pd30  1  0.50000000  0.00809759  0.26172876  1.0
  Pd  Pd31  1  0.74065642  0.99391838  0.50018975  1.0
  Pd  Pd32  1  0.73184891  0.48506401  0.99936613  1.0

Get direct link