BiPd2Pb

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30461 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

BiPd2Pb

MP-ID

mp-30461

Elements

Sites

Density

12.3122

g/cm³

Volume

169.67

Å³

Cell a

5.6256

Cell b

5.6817

Cell c

5.6817

α Angle

100.26

β Angle

101.61

γ Angle

101.61

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
16.60	5.3414	1.0	(1,0,0)
25.76	3.4582	4.3	(0,1,1)
25.93	3.4363	4.2	(1,-1,-1)
26.38	3.3780	44.0	(1,1,-1)
33.06	2.7096	56.4	(0,2,0)
33.06	2.7096	56.4	(0,0,2)
33.19	2.6990	100.0	(1,0,-2)
33.43	2.6801	12.9	(0,2,-1)
33.56	2.6707	75.2	(2,0,0)
33.56	2.6700	1.1	(2,0,-1)
35.06	2.5595	33.2	(1,1,1)
35.44	2.5330	34.3	(2,-1,-1)
35.61	2.5215	5.4	(1,1,-2)
38.77	2.3227	7.8	(1,-1,-2)
39.41	2.2866	5.2	(1,2,-1)
39.57	2.2775	43.9	(2,1,-1)
40.47	2.2289	3.2	(0,2,1)
40.88	2.2074	24.8	(1,2,0)
40.88	2.2074	24.8	(1,0,2)
41.22	2.1903	53.4	(2,0,-2)
41.41	2.1804	58.5	(0,2,-2)
44.34	2.0432	1.2	(2,-2,-1)
44.34	2.0432	1.2	(2,-1,-2)
44.91	2.0185	4.4	(2,1,-2)

Get direct link

Energy Properties

Formation Energy/atom

-0.27592

eV/atom

Energy/atom

-40.45300

eV/atom

Energy above Hull

0.0073

eV/atom

Uncorrected Energy

-40.4530

eV/atom

Volume/atom

21.21

Å³

c/a Ratio

1.0100

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

83.365

GPa

G_VRH

23.445

GPa

Young's Modulus E

64.307

GPa

Poisson Ratio ν

0.371

Pugh Ratio K/G

3.556

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.442

Lame λ

67.735

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

2.6517

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.605%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1103

smaller = more stable mixing

VEC

7.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.913

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.504

Family

Pd-rich Multi-Component

Matrix Element

Pd · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4420

Homogeneous Poisson ν

0.3710

Debye Temperature

167.3

Sound Velocity

1,556.0

m/s

Homogeneity

0.3710

Related Tasks

Related computation task IDs (5)

aaadmiey aaadrfdh aaaembqy aaaeujsh aaafijxs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30461

Reference Citation

The crystal structure and related material properties of BiPd2Pb were obtained from the Materials Project database (MP-ID: mp-30461, 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_BiPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62558243
_cell_length_b   5.68172068
_cell_length_c   5.68171996
_cell_angle_alpha   100.26120418
_cell_angle_beta   101.60636566
_cell_angle_gamma   101.60636169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2Pb
_chemical_formula_sum   'Bi2 Pd4 Pb2'
_cell_volume   169.67121551
_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
  Bi  Bi0  1  0.57293672  0.50276861  0.05406806  1.0
  Bi  Bi1  1  0.57293672  0.05406806  0.50276861  1.0
  Pd  Pd2  1  0.46617996  0.96044117  0.96044117  1.0
  Pd  Pd3  1  0.47768939  0.55425421  0.55425421  1.0
  Pd  Pd4  1  0.12824325  0.17097551  0.65668305  1.0
  Pd  Pd5  1  0.12824325  0.65668305  0.17097551  1.0
  Pb  Pb6  1  0.00947530  0.12699659  0.12699659  1.0
  Pb  Pb7  1  0.00829741  0.64281480  0.64281480  1.0

Get direct link