RbMg14C

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026629 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbMg14C

MP-ID

mp-1026629

Elements

Sites

Density

1.9292

g/cm³

Volume

376.79

Å³

Cell a

6.4682

Cell b

6.4682

Cell c

10.3992

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
8.50	10.3992	5.2	(0,0,0,1)
15.82	5.6016	8.0	(1,0,-1,0)
17.05	5.1996	3.1	(0,0,0,2)
17.99	4.9317	17.0	(1,0,-1,1)
23.34	3.8109	1.3	(1,0,-1,2)
23.34	3.8109	2.7	(1,-1,0,2)
25.70	3.4664	7.8	(0,0,0,3)
27.58	3.2341	1.7	(2,-1,-1,0)
28.91	3.0882	3.4	(2,-1,-1,1)
28.91	3.0882	6.8	(1,1,-2,1)
30.32	2.9477	13.6	(1,0,-1,3)
31.95	2.8008	26.5	(2,0,-2,0)
32.61	2.7462	1.6	(2,-1,-1,2)
33.12	2.7044	8.2	(2,0,-2,1)
34.50	2.5998	21.0	(0,0,0,4)
36.44	2.4658	100.0	(2,0,-2,2)
38.16	2.3582	1.2	(1,0,-1,4)
41.45	2.1786	2.2	(2,0,-2,3)
41.45	2.1786	1.1	(0,2,-2,3)
43.63	2.0747	1.7	(3,-1,-2,1)
43.63	2.0747	3.5	(2,1,-3,1)
44.72	2.0263	1.6	(2,-1,-1,4)
46.30	1.9609	2.5	(3,-1,-2,2)
46.58	1.9498	1.1	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

0.45559

eV/atom

Energy/atom

-1.60929

eV/atom

Energy above Hull

0.4583

eV/atom

Uncorrected Energy

-1.6093

eV/atom

Volume/atom

23.55

Å³

c/a Ratio

1.6078

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

0.063

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

0.5216

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.531%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3300

smaller = more stable mixing

VEC

2.063

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.875

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.623

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkrt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026629

Reference Citation

The crystal structure and related material properties of RbMg14C were obtained from the Materials Project database (MP-ID: mp-1026629, 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_RbMg14C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46818581
_cell_length_b   6.46818527
_cell_length_c   10.39923898
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14C
_chemical_formula_sum   'Rb1 Mg14 C1'
_cell_volume   376.78804697
_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  0.17849371  0.83924635  0.12500000  1.0
  Mg  Mg2  1  0.14923812  0.82461856  0.62500000  1.0
  Mg  Mg3  1  0.66075365  0.32150629  0.12500000  1.0
  Mg  Mg4  1  0.67538144  0.35076188  0.62500000  1.0
  Mg  Mg5  1  0.66075365  0.83924635  0.12500000  1.0
  Mg  Mg6  1  0.67538144  0.82461856  0.62500000  1.0
  Mg  Mg7  1  0.32684460  0.17315540  0.41129609  1.0
  Mg  Mg8  1  0.32684460  0.17315540  0.83870391  1.0
  Mg  Mg9  1  0.32684460  0.65369020  0.41129609  1.0
  Mg  Mg10  1  0.32684460  0.65369020  0.83870391  1.0
  Mg  Mg11  1  0.84630980  0.17315540  0.41129609  1.0
  Mg  Mg12  1  0.84630980  0.17315540  0.83870391  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36564635  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88435365  1.0
  C  C15  1  0.16666700  0.33333300  0.62500000  1.0

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