RbMg14Bi

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026608 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbMg14Bi

MP-ID

mp-1026608

Elements

Sites

Density

2.5829

g/cm³

Volume

408.07

Å³

Cell a

6.5698

Cell b

6.5698

Cell c

10.9168

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
8.10	10.9168	31.9	(0,0,0,1)
15.57	5.6896	88.5	(1,0,-1,0)
16.24	5.4584	28.7	(0,0,0,2)
17.58	5.0455	35.0	(1,0,-1,1)
22.57	3.9389	86.0	(1,0,-1,2)
24.46	3.6389	2.0	(0,0,0,3)
27.15	3.2849	26.4	(2,-1,-1,0)
28.37	3.1456	10.7	(2,-1,-1,1)
29.13	3.0656	10.0	(1,0,-1,3)
31.45	2.8448	31.4	(2,0,-2,0)
31.45	2.8448	15.7	(0,2,-2,0)
31.79	2.8145	35.1	(2,-1,-1,2)
32.53	2.7529	7.8	(2,0,-2,1)
32.82	2.7292	39.6	(0,0,0,4)
35.59	2.5227	100.0	(2,0,-2,2)
35.59	2.5227	50.0	(0,2,-2,2)
36.51	2.4607	23.2	(1,0,-1,4)
36.86	2.4384	7.1	(2,-1,-1,3)
40.24	2.2412	5.4	(2,0,-2,3)
41.35	2.1834	1.1	(0,0,0,5)
42.01	2.1505	6.2	(3,-1,-2,0)
42.01	2.1505	12.3	(2,1,-3,0)
42.86	2.1099	2.8	(3,-1,-2,1)
42.86	2.1099	5.6	(2,1,-3,1)

Get direct link

Energy Properties

Formation Energy/atom

0.15329

eV/atom

Energy/atom

-1.57778

eV/atom

Energy above Hull

0.1985

eV/atom

Uncorrected Energy

-1.5778

eV/atom

Volume/atom

25.50

Å³

c/a Ratio

1.6617

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

0.8345

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.024%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2152

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.976

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.690

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkqy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026608

Reference Citation

The crystal structure and related material properties of RbMg14Bi were obtained from the Materials Project database (MP-ID: mp-1026608, 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_RbMg14Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56980262
_cell_length_b   6.56980206
_cell_length_c   10.91680856
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Bi
_chemical_formula_sum   'Rb1 Mg14 Bi1'
_cell_volume   408.06647912
_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  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17133755  0.83566827  0.12500000  1.0
  Mg  Mg2  1  0.16323644  0.83161772  0.62500000  1.0
  Mg  Mg3  1  0.66433173  0.32866245  0.12500000  1.0
  Mg  Mg4  1  0.66838228  0.33676356  0.62500000  1.0
  Mg  Mg5  1  0.66433173  0.83566827  0.12500000  1.0
  Mg  Mg6  1  0.66838228  0.83161772  0.62500000  1.0
  Mg  Mg7  1  0.33903432  0.16096568  0.38174647  1.0
  Mg  Mg8  1  0.33903432  0.16096568  0.86825353  1.0
  Mg  Mg9  1  0.33903432  0.67806965  0.38174647  1.0
  Mg  Mg10  1  0.33903432  0.67806965  0.86825353  1.0
  Mg  Mg11  1  0.82193035  0.16096568  0.38174647  1.0
  Mg  Mg12  1  0.82193035  0.16096568  0.86825353  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37061827  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87938173  1.0
  Bi  Bi15  1  0.16666700  0.33333300  0.62500000  1.0

Get direct link