RbNaMg14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026667 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbNaMg14

MP-ID

mp-1026667

Elements

Sites

Density

1.7976

g/cm³

Volume

414.50

Å³

Cell a

6.7369

Cell b

6.7369

Cell c

10.5458

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
8.38	10.5458	11.4	(0,0,0,1)
15.19	5.8343	8.5	(1,0,-1,0)
16.81	5.2729	3.3	(0,0,0,2)
17.37	5.1051	19.1	(1,0,-1,1)
22.73	3.9120	13.2	(1,0,-1,2)
25.34	3.5153	2.9	(0,0,0,3)
26.46	3.3684	3.5	(2,-1,-1,0)
27.80	3.2087	7.4	(2,-1,-1,1)
29.67	3.0110	6.6	(1,0,-1,3)
30.65	2.9172	38.3	(2,0,-2,0)
31.52	2.8387	1.4	(2,-1,-1,2)
31.52	2.8387	2.7	(1,1,-2,2)
31.83	2.8116	5.3	(2,0,-2,1)
34.00	2.6365	36.0	(0,0,0,4)
35.16	2.5526	100.0	(2,0,-2,2)
35.16	2.5526	50.0	(0,2,-2,2)
36.96	2.4321	1.3	(1,1,-2,3)
37.43	2.4025	1.9	(1,0,-1,4)
40.17	2.2449	1.8	(2,0,-2,3)
40.93	2.2052	1.2	(3,-1,-2,0)
40.93	2.2052	2.5	(2,1,-3,0)
41.85	2.1585	2.5	(3,-1,-2,1)
41.85	2.1585	1.3	(1,2,-3,1)
43.59	2.0761	1.9	(2,-1,-1,4)

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Energy Properties

Formation Energy/atom

0.18719

eV/atom

Energy/atom

-1.38461

eV/atom

Energy above Hull

0.1872

eV/atom

Uncorrected Energy

-1.3846

eV/atom

Volume/atom

25.91

Å³

c/a Ratio

1.5654

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0221

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

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

4.6426

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.312%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1452

smaller = more stable mixing

VEC

1.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.706

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.658

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgktf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026667

Reference Citation

The crystal structure and related material properties of RbNaMg14 were obtained from the Materials Project database (MP-ID: mp-1026667, 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_RbNaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73688760
_cell_length_b   6.73688699
_cell_length_c   10.54582054
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbNaMg14
_chemical_formula_sum   'Rb1 Na1 Mg14'
_cell_volume   414.50479510
_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  0.62500000  1.0
  Na  Na1  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg2  1  0.16913735  0.83456818  0.12500000  1.0
  Mg  Mg3  1  0.17259046  0.83629473  0.62500000  1.0
  Mg  Mg4  1  0.66543182  0.33086265  0.12500000  1.0
  Mg  Mg5  1  0.66370527  0.32740954  0.62500000  1.0
  Mg  Mg6  1  0.66543182  0.83456818  0.12500000  1.0
  Mg  Mg7  1  0.66370527  0.83629473  0.62500000  1.0
  Mg  Mg8  1  0.34161671  0.15838329  0.36458422  1.0
  Mg  Mg9  1  0.34161671  0.15838329  0.88541578  1.0
  Mg  Mg10  1  0.34161671  0.68323441  0.36458422  1.0
  Mg  Mg11  1  0.34161671  0.68323441  0.88541578  1.0
  Mg  Mg12  1  0.81676559  0.15838329  0.36458422  1.0
  Mg  Mg13  1  0.81676559  0.15838329  0.88541578  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.37778358  1.0
  Mg  Mg15  1  0.83333300  0.66666700  0.87221642  1.0

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