RbBaMg14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026610 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbBaMg14

MP-ID

mp-1026610

Elements

Sites

Density

2.0935

g/cm³

Volume

446.61

Å³

Cell a

6.9943

Cell b

6.9943

Cell c

10.5417

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
8.39	10.5417	3.6	(0,0,0,1)
14.62	6.0573	33.1	(1,0,-1,0)
16.82	5.2708	10.2	(0,0,0,2)
16.88	5.2520	4.4	(1,0,-1,1)
22.36	3.9762	39.6	(1,0,-1,2)
25.47	3.4972	4.2	(2,-1,-1,0)
25.47	3.4972	8.3	(1,1,-2,0)
26.86	3.3193	1.5	(2,-1,-1,1)
29.39	3.0395	1.2	(1,0,-1,3)
29.49	3.0286	30.5	(2,0,-2,0)
30.68	2.9141	4.6	(2,-1,-1,2)
30.68	2.9141	9.2	(1,1,-2,2)
30.72	2.9109	1.0	(2,0,-2,1)
34.02	2.6354	22.3	(0,0,0,4)
34.14	2.6260	100.0	(2,0,-2,2)
37.21	2.4166	6.9	(1,0,-1,4)
39.36	2.2894	11.0	(3,-1,-2,0)
40.31	2.2373	1.0	(3,-1,-2,1)
42.97	2.1047	6.1	(2,-1,-1,4)
43.08	2.0999	2.4	(3,-1,-2,2)
43.08	2.0999	4.8	(2,1,-3,2)
44.89	2.0191	1.7	(3,0,-3,0)
45.63	1.9881	11.9	(2,0,-2,4)
45.63	1.9881	5.9	(0,2,-2,4)

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Energy Properties

Formation Energy/atom

0.18771

eV/atom

Energy/atom

-1.42018

eV/atom

Energy above Hull

0.2053

eV/atom

Uncorrected Energy

-1.4202

eV/atom

Volume/atom

27.91

Å³

c/a Ratio

1.5072

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.2386

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000530

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.958%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1510

smaller = more stable mixing

VEC

1.938

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.646

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkra

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026610

Reference Citation

The crystal structure and related material properties of RbBaMg14 were obtained from the Materials Project database (MP-ID: mp-1026610, 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_RbBaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99433990
_cell_length_b   6.99433923
_cell_length_c   10.54166427
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbBaMg14
_chemical_formula_sum   'Rb1 Ba1 Mg14'
_cell_volume   446.61491659
_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
  Ba  Ba1  1  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg2  1  0.17253629  0.83626765  0.12500000  1.0
  Mg  Mg3  1  0.17947500  0.83973700  0.62500000  1.0
  Mg  Mg4  1  0.66373235  0.32746371  0.12500000  1.0
  Mg  Mg5  1  0.66026300  0.32052500  0.62500000  1.0
  Mg  Mg6  1  0.66373235  0.83626765  0.12500000  1.0
  Mg  Mg7  1  0.66026300  0.83973700  0.62500000  1.0
  Mg  Mg8  1  0.34981520  0.15018480  0.37584041  1.0
  Mg  Mg9  1  0.34981520  0.15018480  0.87415959  1.0
  Mg  Mg10  1  0.34981520  0.69963139  0.37584041  1.0
  Mg  Mg11  1  0.34981520  0.69963139  0.87415959  1.0
  Mg  Mg12  1  0.80036861  0.15018480  0.37584041  1.0
  Mg  Mg13  1  0.80036861  0.15018480  0.87415959  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.37589424  1.0
  Mg  Mg15  1  0.83333300  0.66666700  0.87410576  1.0

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