RbMnBi

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018949 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

RbMnBi

MP-ID

mp-1018949

Elements

Sites

Density

5.5369

g/cm³

Volume

209.56

Å³

Cell a

4.8710

Cell b

4.8710

Cell c

8.8324

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

Point Group

4/mmm

Crystal System

Tetragonal

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
10.01	8.8324	39.7	(0,0,1)
20.11	4.4162	11.0	(0,0,2)
20.83	4.2654	43.1	(1,0,1)
25.87	3.4443	56.3	(1,1,0)
27.26	3.2717	100.0	(1,0,2)
30.36	2.9441	1.1	(0,0,3)
32.98	2.7160	55.2	(1,1,2)
35.63	2.5197	4.6	(1,0,3)
36.91	2.4355	49.4	(2,0,0)
38.34	2.3479	6.6	(2,0,1)
40.30	2.2380	18.5	(1,1,3)
42.38	2.1327	7.1	(2,0,2)
42.75	2.1150	14.9	(2,1,1)
45.08	2.0111	33.1	(1,0,4)
46.48	1.9536	47.5	(2,1,2)
48.51	1.8766	1.5	(2,0,3)
49.00	1.8589	7.7	(1,1,4)
51.75	1.7665	3.4	(0,0,5)
52.24	1.7512	3.1	(2,1,3)
53.19	1.7222	17.2	(2,2,0)
54.27	1.6903	2.4	(2,2,1)
57.43	1.6045	3.1	(2,2,2)
57.73	1.5969	3.2	(3,0,1)
58.74	1.5718	2.3	(1,1,5)

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Energy Properties

Formation Energy/atom

0.02288

eV/atom

Energy/atom

-4.65464

eV/atom

Energy above Hull

0.2505

eV/atom

Uncorrected Energy

-4.6546

eV/atom

Volume/atom

34.93

Å³

c/a Ratio

1.8133

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.3628

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.044680

μB/Å³

Elastic Properties

K_VRH

15.600

GPa

G_VRH

9.919

GPa

Young's Modulus E

24.553

GPa

Poisson Ratio ν

0.238

Pugh Ratio K/G

1.573

Vickers Hardness Est.

1.507

GPa

Ductility

Ductile

Anisotropy

0.761

Lame λ

8.987

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rb · 0.333

Element Family

Alkali-AlkEarth

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

1.0369

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

25.970%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4937

smaller = more stable mixing

VEC

4.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

6.977

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.263

Family

Rb-rich Multi-Component

Matrix Element

Rb · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7610

Homogeneous Poisson ν

0.2380

Debye Temperature

148.4

Sound Velocity

1,483.8

m/s

Homogeneity

0.2380

Related Tasks

Related computation task IDs (5)

aaadmqvx aaadstue aaadxutq aaaerbah aaafcazd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018949

Reference Citation

The crystal structure and related material properties of RbMnBi were obtained from the Materials Project database (MP-ID: mp-1018949, 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_RbMnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87100400
_cell_length_b   4.87100400
_cell_length_c   8.83241000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMnBi
_chemical_formula_sum   'Rb2 Mn2 Bi2'
_cell_volume   209.56376542
_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
  Rb  Rb0  1  0.00000000  0.50000000  0.34282300  1.0
  Rb  Rb1  1  0.50000000  0.00000000  0.65717700  1.0
  Mn  Mn2  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn3  1  0.50000000  0.50000000  0.00000000  1.0
  Bi  Bi4  1  0.00000000  0.50000000  0.81876300  1.0
  Bi  Bi5  1  0.50000000  0.00000000  0.18123700  1.0

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