YbBiPd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30466 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

YbBiPd

MP-ID

mp-30466

Elements

Sites

Density

11.2209

g/cm³

Volume

72.28

Å³

Cell a

4.6757

Cell b

4.6757

Cell c

4.6757

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 13)

2θ	d (Å)	I	hkl
23.30	3.8177	13.7	(1,1,1)
26.97	3.3062	38.3	(1,1,0)
38.51	2.3379	100.0	(2,1,1)
45.49	1.9937	6.9	(2,2,1)
47.64	1.9089	11.4	(2,2,2)
55.59	1.6531	17.4	(2,2,0)
61.09	1.5170	2.8	(3,2,2)
62.85	1.4786	15.4	(3,2,1)
69.66	1.3498	35.6	(3,3,2)
74.57	1.2726	2.1	(3,3,3)
82.52	1.1689	11.5	(4,2,2)
87.22	1.1177	2.2	(4,3,2)
88.78	1.1021	8.2	(4,1,1)

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Energy Properties

Formation Energy/atom

-1.00855

eV/atom

Energy/atom

-40.33925

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.3393

eV/atom

Volume/atom

24.09

Å³

c/a Ratio

1.0000

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

Yb · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

6.7441

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.933%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4818

smaller = more stable mixing

VEC

9.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.566

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.333

Related Tasks

Related computation task IDs (5)

aaadmrad aaadqxkq aaaeuouf aaafdith aaahbacb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30466

Reference Citation

The crystal structure and related material properties of YbBiPd were obtained from the Materials Project database (MP-ID: mp-30466, 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

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Raw CIF Data

# generated using pymatgen
data_YbBiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67573537
_cell_length_b   4.67573537
_cell_length_c   4.67573537
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbBiPd
_chemical_formula_sum   'Yb1 Bi1 Pd1'
_cell_volume   72.28276769
_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  0.50000000  0.50000000  0.50000000  1.0
  Bi  Bi1  1  0.00000000  0.00000000  0.00000000  1.0
  Pd  Pd2  1  0.75000000  0.75000000  0.75000000  1.0

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