RbMg14Sb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026606 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbMg14Sb

MP-ID

mp-1026606

Elements

Sites

Density

2.3055

g/cm³

Volume

394.33

Å³

Cell a

6.5248

Cell b

6.5248

Cell c

10.6955

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
8.27	10.6955	4.6	(0,0,0,1)
15.68	5.6506	34.6	(1,0,-1,0)
16.58	5.3478	11.5	(0,0,0,2)
17.75	4.9962	3.3	(1,0,-1,1)
22.90	3.8841	34.3	(1,0,-1,2)
27.34	3.2624	10.4	(2,-1,-1,0)
31.67	2.8253	28.5	(2,0,-2,0)
32.14	2.7851	4.4	(2,-1,-1,2)
32.14	2.7851	8.9	(1,1,-2,2)
33.51	2.6739	25.7	(0,0,0,4)
35.95	2.4981	100.0	(2,0,-2,2)
37.20	2.4169	8.2	(1,0,-1,4)
37.36	2.4068	1.1	(2,-1,-1,3)
40.75	2.2143	1.0	(2,0,-2,3)
42.32	2.1357	4.9	(3,-1,-2,0)
42.32	2.1357	2.4	(1,2,-3,0)
43.77	2.0680	5.9	(2,-1,-1,4)
45.75	1.9834	8.6	(3,-1,-2,2)
46.78	1.9420	18.6	(2,0,-2,4)
48.32	1.8835	2.1	(3,0,-3,0)
51.44	1.7766	3.6	(3,0,-3,2)
53.93	1.7000	3.4	(1,0,-1,6)
55.03	1.6688	6.5	(3,-1,-2,4)
56.41	1.6312	5.6	(4,-2,-2,0)

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Energy Properties

Formation Energy/atom

0.12956

eV/atom

Energy/atom

-1.61645

eV/atom

Energy above Hull

0.2071

eV/atom

Uncorrected Energy

-5.9952

eV/atom

Volume/atom

24.65

Å³

c/a Ratio

1.6392

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

0.5564

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.450%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2213

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.119

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.684

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaagjdgl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026606

Reference Citation

The crystal structure and related material properties of RbMg14Sb were obtained from the Materials Project database (MP-ID: mp-1026606, 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_RbMg14Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52476667
_cell_length_b   6.52476611
_cell_length_c   10.69550724
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Sb
_chemical_formula_sum   'Rb1 Mg14 Sb1'
_cell_volume   394.33192586
_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  0.17686576  0.83843238  0.12500000  1.0
  Mg  Mg2  1  0.15876797  0.82938349  0.62500000  1.0
  Mg  Mg3  1  0.66156762  0.32313424  0.12500000  1.0
  Mg  Mg4  1  0.67061651  0.34123203  0.62500000  1.0
  Mg  Mg5  1  0.66156762  0.83843238  0.12500000  1.0
  Mg  Mg6  1  0.67061651  0.82938349  0.62500000  1.0
  Mg  Mg7  1  0.33882416  0.16117584  0.38929518  1.0
  Mg  Mg8  1  0.33882416  0.16117584  0.86070482  1.0
  Mg  Mg9  1  0.33882416  0.67764933  0.38929518  1.0
  Mg  Mg10  1  0.33882416  0.67764933  0.86070482  1.0
  Mg  Mg11  1  0.82235067  0.16117584  0.38929518  1.0
  Mg  Mg12  1  0.82235067  0.16117584  0.86070482  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36865558  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88134442  1.0
  Sb  Sb15  1  0.16666700  0.33333300  0.62500000  1.0

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