RbMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026619 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbMg14Cr

MP-ID

mp-1026619

Elements

Sites

Density

2.0281

g/cm³

Volume

391.14

Å³

Cell a

6.4945

Cell b

6.4945

Cell c

10.7083

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
15.76	5.6244	15.3	(1,0,-1,0)
16.56	5.3541	5.7	(0,0,0,2)
17.81	4.9793	2.4	(1,0,-1,1)
22.93	3.8780	15.3	(1,0,-1,2)
24.95	3.5694	1.9	(0,0,0,3)
27.47	3.2472	4.5	(2,-1,-1,0)
28.73	3.1075	1.7	(2,-1,-1,1)
29.64	3.0137	2.4	(1,0,-1,3)
31.82	2.8122	26.2	(2,0,-2,0)
32.24	2.7765	5.6	(2,-1,-1,2)
32.93	2.7200	1.4	(2,0,-2,1)
33.47	2.6771	25.3	(0,0,0,4)
36.08	2.4897	100.0	(2,0,-2,2)
37.20	2.4172	3.4	(1,0,-1,4)
42.53	2.1258	3.0	(3,-1,-2,0)
43.83	2.0656	2.8	(2,-1,-1,4)
45.93	1.9758	3.7	(3,-1,-2,2)
46.86	1.9390	16.5	(2,0,-2,4)
49.93	1.8264	1.1	(3,-1,-2,3)
53.80	1.7038	2.0	(2,0,-2,5)
53.90	1.7011	1.6	(1,0,-1,6)
55.17	1.6648	1.6	(3,-1,-2,4)
56.69	1.6236	5.7	(4,-2,-2,0)
56.69	1.6236	11.4	(2,2,-4,0)

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Energy Properties

Formation Energy/atom

0.24727

eV/atom

Energy/atom

-1.84399

eV/atom

Energy above Hull

0.2473

eV/atom

Uncorrected Energy

-1.8440

eV/atom

Volume/atom

24.45

Å³

c/a Ratio

1.6488

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.6389

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.009300

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

1.6515

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.421%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1503

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.248

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)

aaacgkrj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026619

Reference Citation

The crystal structure and related material properties of RbMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026619, 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_RbMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49446806
_cell_length_b   6.49446752
_cell_length_c   10.70824821
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Cr
_chemical_formula_sum   'Rb1 Mg14 Cr1'
_cell_volume   391.14355924
_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  0.17277089  0.83638495  0.12500000  1.0
  Mg  Mg2  1  0.16242190  0.83121045  0.62500000  1.0
  Mg  Mg3  1  0.66361505  0.32722911  0.12500000  1.0
  Mg  Mg4  1  0.66878955  0.33757810  0.62500000  1.0
  Mg  Mg5  1  0.66361505  0.83638495  0.12500000  1.0
  Mg  Mg6  1  0.66878955  0.83121045  0.62500000  1.0
  Mg  Mg7  1  0.33612188  0.16387812  0.39694058  1.0
  Mg  Mg8  1  0.33612188  0.16387812  0.85305942  1.0
  Mg  Mg9  1  0.33612188  0.67224476  0.39694058  1.0
  Mg  Mg10  1  0.33612188  0.67224476  0.85305942  1.0
  Mg  Mg11  1  0.82775524  0.16387812  0.39694058  1.0
  Mg  Mg12  1  0.82775524  0.16387812  0.85305942  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36925511  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88074489  1.0
  Cr  Cr15  1  0.16666700  0.33333300  0.62500000  1.0

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