RbMg14Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028344 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbMg14Ni

MP-ID

mp-1028344

Elements

Sites

Density

2.1187

g/cm³

Volume

379.68

Å³

Cell a

6.4272

Cell b

6.4272

Cell c

10.6132

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
15.92	5.5661	21.9	(1,0,-1,0)
16.71	5.3066	7.8	(0,0,0,2)
23.16	3.8408	16.7	(1,0,-1,2)
25.17	3.5377	2.4	(0,0,0,3)
27.76	3.2136	1.9	(2,-1,-1,0)
27.76	3.2136	3.7	(1,1,-2,0)
29.03	3.0757	1.1	(2,-1,-1,1)
29.93	2.9857	3.0	(1,0,-1,3)
32.16	2.7831	27.2	(2,0,-2,0)
32.57	2.7488	6.7	(2,-1,-1,2)
33.28	2.6920	1.3	(2,0,-2,1)
33.78	2.6533	23.3	(0,0,0,4)
36.45	2.4647	100.0	(2,0,-2,2)
37.55	2.3951	4.5	(1,0,-1,4)
41.27	2.1873	1.9	(2,0,-2,3)
42.99	2.1038	2.8	(3,-1,-2,0)
44.27	2.0460	4.0	(2,-1,-1,4)
46.43	1.9557	2.1	(3,-1,-2,2)
46.43	1.9557	4.1	(2,1,-3,2)
47.34	1.9204	17.1	(2,0,-2,4)
49.10	1.8554	1.1	(3,0,-3,0)
51.68	1.7689	1.3	(0,0,0,6)
52.23	1.7514	1.7	(3,0,-3,2)
54.36	1.6878	2.6	(2,0,-2,5)

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Energy Properties

Formation Energy/atom

0.20566

eV/atom

Energy/atom

-1.64355

eV/atom

Energy above Hull

0.2344

eV/atom

Uncorrected Energy

-1.6436

eV/atom

Volume/atom

23.73

Å³

c/a Ratio

1.6513

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

0.8235

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.716%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1935

smaller = more stable mixing

VEC

2.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.375

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.666

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnfs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028344

Reference Citation

The crystal structure and related material properties of RbMg14Ni were obtained from the Materials Project database (MP-ID: mp-1028344, 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

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Raw CIF Data

# generated using pymatgen
data_RbMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42719338
_cell_length_b   6.42719285
_cell_length_c   10.61314893
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Ni
_chemical_formula_sum   'Rb1 Mg14 Ni1'
_cell_volume   379.67987388
_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  0.15401974  0.82700937  0.12500000  1.0
  Mg  Mg2  1  0.17371370  0.83685635  0.62500000  1.0
  Mg  Mg3  1  0.67299063  0.34598026  0.12500000  1.0
  Mg  Mg4  1  0.66314365  0.32628630  0.62500000  1.0
  Mg  Mg5  1  0.67299063  0.82700937  0.12500000  1.0
  Mg  Mg6  1  0.66314365  0.83685635  0.62500000  1.0
  Mg  Mg7  1  0.33004617  0.16995383  0.34273802  1.0
  Mg  Mg8  1  0.33004617  0.16995383  0.90726198  1.0
  Mg  Mg9  1  0.33004617  0.66009334  0.34273802  1.0
  Mg  Mg10  1  0.33004617  0.66009334  0.90726198  1.0
  Mg  Mg11  1  0.83990666  0.16995383  0.34273802  1.0
  Mg  Mg12  1  0.83990666  0.16995383  0.90726198  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38426247  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86573753  1.0
  Ni  Ni15  1  0.16666700  0.33333300  0.12500000  1.0

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