RbMg14Ga

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026622 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbMg14Ga

MP-ID

mp-1026622

Elements

Sites

Density

2.0933

g/cm³

Volume

393.04

Å³

Cell a

6.5084

Cell b

6.5084

Cell c

10.7142

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
15.72	5.6364	30.2	(1,0,-1,0)
16.55	5.3571	10.3	(0,0,0,2)
22.90	3.8830	29.7	(1,0,-1,2)
27.41	3.2542	9.0	(2,-1,-1,0)
29.61	3.0168	1.2	(1,0,-1,3)
31.75	2.8182	39.9	(2,0,-2,0)
32.18	2.7813	11.6	(2,-1,-1,2)
33.45	2.6786	38.9	(0,0,0,4)
36.01	2.4941	100.0	(2,0,-2,2)
36.01	2.4941	50.0	(0,2,-2,2)
37.16	2.4193	7.2	(1,0,-1,4)
42.43	2.1304	4.1	(3,-1,-2,0)
42.43	2.1304	2.1	(1,2,-3,0)
43.77	2.0681	5.3	(2,-1,-1,4)
45.84	1.9796	7.7	(3,-1,-2,2)
46.79	1.9415	25.9	(2,0,-2,4)
48.45	1.8788	1.8	(3,0,-3,0)
51.55	1.7729	3.1	(3,0,-3,2)
53.74	1.7058	1.1	(2,0,-2,5)
53.86	1.7023	3.0	(1,0,-1,6)
55.08	1.6673	5.5	(3,-1,-2,4)
56.56	1.6271	25.7	(4,-2,-2,0)
59.00	1.5655	1.7	(2,-1,-1,6)
59.10	1.5633	1.3	(3,1,-4,0)

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Energy Properties

Formation Energy/atom

0.15324

eV/atom

Energy/atom

-1.52396

eV/atom

Energy above Hull

0.1767

eV/atom

Uncorrected Energy

-1.5240

eV/atom

Volume/atom

24.56

Å³

c/a Ratio

1.6462

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

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

1.2418

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.964%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1750

smaller = more stable mixing

VEC

2.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.625

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.705

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkrm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026622

Reference Citation

The crystal structure and related material properties of RbMg14Ga were obtained from the Materials Project database (MP-ID: mp-1026622, 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…

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Raw CIF Data

# generated using pymatgen
data_RbMg14Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50838057
_cell_length_b   6.50838003
_cell_length_c   10.71418944
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Ga
_chemical_formula_sum   'Rb1 Mg14 Ga1'
_cell_volume   393.03912454
_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  0.17290732  0.83645316  0.12500000  1.0
  Mg  Mg2  1  0.16309681  0.83154791  0.62500000  1.0
  Mg  Mg3  1  0.66354684  0.32709268  0.12500000  1.0
  Mg  Mg4  1  0.66845209  0.33690319  0.62500000  1.0
  Mg  Mg5  1  0.66354684  0.83645316  0.12500000  1.0
  Mg  Mg6  1  0.66845209  0.83154791  0.62500000  1.0
  Mg  Mg7  1  0.33648025  0.16351975  0.39084836  1.0
  Mg  Mg8  1  0.33648025  0.16351975  0.85915164  1.0
  Mg  Mg9  1  0.33648025  0.67296150  0.39084836  1.0
  Mg  Mg10  1  0.33648025  0.67296150  0.85915164  1.0
  Mg  Mg11  1  0.82703850  0.16351975  0.39084836  1.0
  Mg  Mg12  1  0.82703850  0.16351975  0.85915164  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36935749  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88064251  1.0
  Ga  Ga15  1  0.16666700  0.33333300  0.62500000  1.0

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