Yb2Ag4Pd3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292538 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Yb2Ag4Pd3

MP-ID

mp-3292538

Elements

Sites

Density

10.9645

g/cm³

Volume

332.22

Å³

Cell a

5.2920

Cell b

5.2920

Cell c

13.6968

α Angle

90.00

β Angle

90.00

γ Angle

119.99

Space Group

Cmcm

Point Group

mmm

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 24)

2θ	d (Å)	I	hkl
12.93	6.8484	6.4	(0,0,0,2)
26.02	3.4242	4.9	(0,0,0,4)
27.58	3.2346	4.6	(1,0,-1,3)
32.64	2.7432	8.2	(1,0,-1,4)
32.64	2.7431	25.0	(1,-1,0,4)
33.87	2.6463	12.1	(1,1,-2,0)
33.88	2.6460	9.3	(2,-1,-1,0)
34.52	2.5983	14.3	(1,1,-2,1)
34.52	2.5980	35.5	(2,-1,-1,1)
36.40	2.4684	9.3	(1,1,-2,2)
36.40	2.4682	11.6	(2,-1,-1,2)
38.28	2.3514	53.1	(1,0,-1,5)
39.32	2.2917	9.5	(2,0,-2,0)
39.32	2.2914	8.5	(2,-2,0,0)
39.35	2.2895	35.6	(1,1,-2,3)
39.36	2.2893	100.0	(2,-1,-1,3)
39.47	2.2828	27.9	(0,0,0,6)
39.88	2.2603	26.8	(2,0,-2,1)
41.55	2.1732	14.6	(2,0,-2,2)
41.56	2.1730	21.2	(2,-2,0,2)
43.21	2.0939	15.6	(1,1,-2,4)
43.21	2.0937	16.5	(2,-1,-1,4)
44.22	2.0482	8.3	(2,0,-2,3)
44.33	2.0434	4.0	(1,0,-1,6)

Get direct link

Energy Properties

Formation Energy/atom

-0.48846

eV/atom

Energy/atom

-25.75108

eV/atom

Energy above Hull

0.0653

eV/atom

Uncorrected Energy

-25.7511

eV/atom

Volume/atom

18.46

Å³

c/a Ratio

2.5882

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Ag · 0.444

Element Family

4d-TM

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8200

J/mol·K

Ω Parameter

1.0433

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.735%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4105

smaller = more stable mixing

VEC

11.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.852

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9656

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.571

Family

Ag-rich Multi-Component

Matrix Element

Ag · 0.444

Related Tasks

Related computation task IDs (1)

aaahfiqc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292538

Reference Citation

The crystal structure and related material properties of Yb2Ag4Pd3 were obtained from the Materials Project database (MP-ID: mp-3292538, 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_Yb2Ag4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29198565
_cell_length_b   5.29198555
_cell_length_c   13.69684269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99184995
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2Ag4Pd3
_chemical_formula_sum   'Yb4 Ag8 Pd6'
_cell_volume   332.21869545
_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  0.81888929  0.81888929  0.12823283  1.0
  Yb  Yb1  1  0.18111071  0.18111071  0.87176717  1.0
  Yb  Yb2  1  0.81888929  0.81888929  0.37176717  1.0
  Yb  Yb3  1  0.18111071  0.18111071  0.62823283  1.0
  Ag  Ag4  1  0.15956535  0.48480287  0.07706265  1.0
  Ag  Ag5  1  0.51519713  0.84043465  0.92293735  1.0
  Ag  Ag6  1  0.48480287  0.15956535  0.07706265  1.0
  Ag  Ag7  1  0.84043465  0.51519713  0.57706265  1.0
  Ag  Ag8  1  0.48480287  0.15956535  0.42293735  1.0
  Ag  Ag9  1  0.84043465  0.51519713  0.92293735  1.0
  Ag  Ag10  1  0.51519713  0.84043465  0.57706265  1.0
  Ag  Ag11  1  0.15956535  0.48480287  0.42293735  1.0
  Pd  Pd12  1  0.17859600  0.70137278  0.75000000  1.0
  Pd  Pd13  1  0.70137278  0.17859600  0.75000000  1.0
  Pd  Pd14  1  0.65807070  0.65807070  0.75000000  1.0
  Pd  Pd15  1  0.29862722  0.82140400  0.25000000  1.0
  Pd  Pd16  1  0.82140400  0.29862722  0.25000000  1.0
  Pd  Pd17  1  0.34192930  0.34192930  0.25000000  1.0

Get direct link