K(BiRh)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202631 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

K(BiRh)2

MP-ID

mp-3202631

Elements

Sites

Density

8.3023

g/cm³

Volume

132.58

Å³

Cell a

7.9202

Cell b

7.9202

Cell c

7.9202

α Angle

148.84

β Angle

148.84

γ Angle

44.64

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
12.08	7.3268	66.9	(1,1,-1)
21.76	4.0852	39.1	(1,0,-1)
21.76	4.0852	13.0	(1,0,0)
24.30	3.6634	3.1	(2,2,-2)
27.81	3.2079	100.0	(2,1,-2)
29.70	3.0079	14.9	(0,0,1)
32.17	2.7826	3.1	(1,1,-2)
32.17	2.7826	9.4	(1,1,0)
37.26	2.4134	5.4	(3,2,-3)
37.26	2.4134	1.8	(3,2,-2)
38.73	2.3247	19.6	(2,2,-3)
38.73	2.3247	58.7	(3,1,-2)
42.50	2.1269	21.7	(1,-1,-1)
42.50	2.1269	21.7	(1,-1,1)
44.35	2.0426	5.6	(2,0,-2)
44.35	2.0426	5.6	(0,2,-2)
47.98	1.8960	24.0	(3,3,-4)
47.98	1.8960	8.0	(3,3,-2)
48.24	1.8865	5.3	(1,0,-2)
48.24	1.8865	8.8	(2,-1,-1)
48.47	1.8783	14.4	(4,3,-4)
48.47	1.8783	4.8	(4,3,-3)
49.56	1.8394	1.8	(1,3,-3)
49.78	1.8317	9.1	(4,4,-4)

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Energy Properties

Formation Energy/atom

-0.30016

eV/atom

Energy/atom

-34.55921

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.5592

eV/atom

Volume/atom

26.52

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

0.7808

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.449%

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)

aaahafqd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202631

Reference Citation

The crystal structure and related material properties of K(BiRh)2 were obtained from the Materials Project database (MP-ID: mp-3202631, 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_K(BiRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92021504
_cell_length_b   7.92021509
_cell_length_c   7.92021580
_cell_angle_alpha   148.84482845
_cell_angle_beta   148.84483231
_cell_angle_gamma   44.63975728
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(BiRh)2
_chemical_formula_sum   'K1 Bi2 Rh2'
_cell_volume   132.57967866
_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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi1  1  0.64069627  0.64069627  0.00000000  1.0
  Bi  Bi2  1  0.35930373  0.35930373  1.00000000  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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