Rb(BiRh)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202777 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Rb(BiRh)2

MP-ID

mp-3202777

Elements

Sites

Density

8.4289

g/cm³

Volume

139.72

Å³

Cell a

8.2995

Cell b

8.2995

Cell c

8.2995

α Angle

150.33

β Angle

150.33

γ Angle

42.46

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
11.44	7.7363	46.4	(1,1,-1)
21.69	4.0980	20.2	(1,0,-1)
27.19	3.2798	100.0	(2,1,-2)
29.73	3.0051	7.4	(1,-1,0)
29.73	3.0051	7.4	(0,0,1)
31.95	2.8012	10.9	(2,0,-1)
34.79	2.5788	1.8	(3,3,-3)
35.90	2.5016	3.0	(3,2,-3)
37.91	2.3731	11.0	(1,3,-2)
37.91	2.3731	33.1	(3,1,-2)
42.54	2.1249	17.5	(1,-1,-1)
42.54	2.1249	17.5	(1,-1,1)
44.20	2.0490	5.1	(2,0,-2)
44.20	2.0490	1.7	(2,0,0)
46.30	1.9610	8.7	(4,3,-4)
46.30	1.9610	2.9	(4,3,-3)
46.40	1.9570	38.2	(4,2,-3)
46.98	1.9341	6.3	(4,4,-4)
48.24	1.8864	1.4	(1,-2,0)
48.24	1.8864	4.1	(2,-1,0)
51.23	1.7833	22.5	(0,3,-1)
51.23	1.7833	13.5	(3,0,-1)
56.08	1.6399	2.0	(4,2,-4)
56.85	1.6195	1.8	(4,1,-2)

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Energy Properties

Formation Energy/atom

-0.30109

eV/atom

Energy/atom

-36.14267

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.1427

eV/atom

Volume/atom

27.94

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

Bi · 0.400

Element Family

PostTransition-Noble

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

0.7776

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

22.522%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5446

smaller = more stable mixing

VEC

5.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

13.255

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Bi-rich Multi-Component

Matrix Element

Bi · 0.400

Related Tasks

Related computation task IDs (1)

aaahafvt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202777

Reference Citation

The crystal structure and related material properties of Rb(BiRh)2 were obtained from the Materials Project database (MP-ID: mp-3202777, 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_Rb(BiRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29948273
_cell_length_b   8.29948290
_cell_length_c   8.29948287
_cell_angle_alpha   150.33099245
_cell_angle_beta   150.33099756
_cell_angle_gamma   42.45575659
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb(BiRh)2
_chemical_formula_sum   'Rb1 Bi2 Rh2'
_cell_volume   139.72447095
_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  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi1  1  0.35365401  0.35365401  1.00000000  1.0
  Bi  Bi2  1  0.64634599  0.64634599  0.00000000  1.0
  Rh  Rh3  1  0.75000000  0.25000000  0.50000000  1.0
  Rh  Rh4  1  0.25000000  0.75000000  0.50000000  1.0

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