Rb2BiPb3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202836 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Rb2BiPb3

MP-ID

mp-3202836

Elements

Sites

Density

7.4809

g/cm³

Volume

222.31

Å³

Cell a

6.9172

Cell b

6.9172

Cell c

6.9172

α Angle

57.82

β Angle

57.82

γ Angle

57.82

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

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
15.44	5.7391	22.3	(1,1,1)
16.15	5.4896	43.2	(1,0,0)
16.15	5.4896	21.6	(0,1,0)
25.79	3.4548	5.5	(2,1,1)
25.79	3.4548	2.7	(1,2,1)
26.66	3.3439	7.9	(1,0,-1)
30.19	2.9599	51.0	(2,2,1)
30.95	2.8893	99.1	(2,1,0)
31.17	2.8696	38.6	(2,2,2)
31.32	2.8558	46.6	(1,1,-1)
32.62	2.7448	100.0	(2,0,0)
37.43	2.4028	43.9	(2,2,0)
39.82	2.2639	7.1	(3,2,2)
40.71	2.2164	7.1	(3,1,1)
41.59	2.1716	13.4	(2,0,-1)
44.93	2.0174	1.8	(3,3,2)
46.54	1.9513	3.2	(3,1,0)
47.07	1.9306	1.1	(2,-1,-1)
47.53	1.9130	4.8	(3,3,3)
48.56	1.8747	14.4	(3,3,1)
49.33	1.8474	8.9	(3,0,2)
49.33	1.8474	17.7	(3,2,0)
49.83	1.8299	26.7	(3,0,0)
53.01	1.7274	38.2	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.30062

eV/atom

Energy/atom

-42.83718

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.8372

eV/atom

Volume/atom

37.05

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

Pb · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.853%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6841

smaller = more stable mixing

VEC

3.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.630

Family

Pb-rich Multi-Component

Matrix Element

Pb · 0.500

Related Tasks

Related computation task IDs (1)

aaahafya

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202836

Reference Citation

The crystal structure and related material properties of Rb2BiPb3 were obtained from the Materials Project database (MP-ID: mp-3202836, 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_Rb2BiPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91714613
_cell_length_b   6.91714563
_cell_length_c   6.91714617
_cell_angle_alpha   57.81903709
_cell_angle_beta   57.81903990
_cell_angle_gamma   57.81903981
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2BiPb3
_chemical_formula_sum   'Rb2 Bi1 Pb3'
_cell_volume   222.30751180
_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
  Rb  Rb0  1  0.25145000  0.25145000  0.25145000  1.0
  Rb  Rb1  1  0.99855000  0.99855000  0.99855000  1.0
  Bi  Bi2  1  0.62500000  0.62500000  0.62500000  1.0
  Pb  Pb3  1  0.62500000  0.12500000  0.62500000  1.0
  Pb  Pb4  1  0.62500000  0.62500000  0.12500000  1.0
  Pb  Pb5  1  0.12500000  0.62500000  0.62500000  1.0

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