RbMg14Ti

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026502 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbMg14Ti

MP-ID

mp-1026502

Elements

Sites

Density

2.0070

g/cm³

Volume

391.85

Å³

Cell a

6.5754

Cell b

6.5754

Cell c

10.4651

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
15.56	5.6945	14.1	(1,0,-1,0)
16.94	5.2326	4.6	(0,0,0,2)
17.73	5.0019	3.6	(1,0,-1,1)
23.08	3.8529	12.9	(1,0,-1,2)
25.54	3.4884	1.8	(0,0,0,3)
27.12	3.2877	1.3	(2,-1,-1,0)
27.12	3.2877	2.7	(1,1,-2,0)
28.46	3.1366	2.2	(2,-1,-1,1)
30.04	2.9746	2.7	(1,0,-1,3)
31.42	2.8472	26.4	(2,0,-2,0)
32.15	2.7838	4.9	(2,-1,-1,2)
32.59	2.7474	1.7	(2,0,-2,1)
34.27	2.6163	23.8	(0,0,0,4)
35.91	2.5010	100.0	(2,0,-2,2)
37.84	2.3774	2.8	(1,0,-1,4)
41.98	2.1523	2.6	(3,-1,-2,0)
44.24	2.0472	1.5	(1,1,-2,4)
45.57	1.9905	3.3	(3,-1,-2,2)
47.18	1.9265	15.8	(2,0,-2,4)
51.78	1.7656	1.1	(2,-1,-1,5)
54.41	1.6864	1.8	(2,0,-2,5)
55.07	1.6677	1.2	(1,0,-1,6)
55.27	1.6621	1.4	(3,-1,-2,4)
55.94	1.6439	5.9	(4,-2,-2,0)

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Energy Properties

Formation Energy/atom

0.21489

eV/atom

Energy/atom

-1.76652

eV/atom

Energy above Hull

0.2149

eV/atom

Uncorrected Energy

-1.7665

eV/atom

Volume/atom

24.49

Å³

c/a Ratio

1.5916

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.1677

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002980

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

1.1932

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.369%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1343

smaller = more stable mixing

VEC

2.063

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.063

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkmw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026502

Reference Citation

The crystal structure and related material properties of RbMg14Ti were obtained from the Materials Project database (MP-ID: mp-1026502, 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_RbMg14Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57539073
_cell_length_b   6.57539017
_cell_length_c   10.46512062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Ti
_chemical_formula_sum   'Rb1 Mg14 Ti1'
_cell_volume   391.84828506
_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
  Mg  Mg1  1  0.16267814  0.83133857  0.12500000  1.0
  Mg  Mg2  1  0.17761044  0.83880472  0.62500000  1.0
  Mg  Mg3  1  0.66866143  0.33732186  0.12500000  1.0
  Mg  Mg4  1  0.66119528  0.32238956  0.62500000  1.0
  Mg  Mg5  1  0.66866143  0.83133857  0.12500000  1.0
  Mg  Mg6  1  0.66119528  0.83880472  0.62500000  1.0
  Mg  Mg7  1  0.33536992  0.16463008  0.35607247  1.0
  Mg  Mg8  1  0.33536992  0.16463008  0.89392753  1.0
  Mg  Mg9  1  0.33536992  0.67074084  0.35607247  1.0
  Mg  Mg10  1  0.33536992  0.67074084  0.89392753  1.0
  Mg  Mg11  1  0.82925916  0.16463008  0.35607247  1.0
  Mg  Mg12  1  0.82925916  0.16463008  0.89392753  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37971644  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87028356  1.0
  Ti  Ti15  1  0.16666700  0.33333300  0.12500000  1.0

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