RbMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026642 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

RbMg14Cr

MP-ID

mp-1026642

Elements

Sites

Density

2.0257

g/cm³

Volume

391.62

Å³

Cell a

6.4946

Cell b

6.5482

Cell c

10.6627

α Angle

90.00

β Angle

90.00

γ Angle

120.27

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
8.29	10.6627	24.1	(0,0,1)
15.67	5.6552	1.1	(1,-1,0)
15.80	5.6089	7.4	(1,0,0)
16.63	5.3314	7.6	(0,0,2)
17.75	4.9960	2.4	(1,-1,1)
17.87	4.9640	11.8	(1,0,1)
22.93	3.8793	2.8	(1,-1,2)
23.02	3.8642	7.4	(1,0,2)
25.05	3.5542	5.0	(0,0,3)
27.24	3.2741	2.3	(1,-2,0)
28.52	3.1299	4.4	(1,-2,1)
29.69	3.0093	2.2	(1,-1,3)
29.76	3.0022	4.1	(1,0,3)
31.64	2.8276	26.0	(2,-2,0)
31.91	2.8045	12.8	(2,0,0)
32.08	2.7900	2.9	(1,-2,2)
32.77	2.7331	6.2	(2,-2,1)
33.03	2.7122	3.0	(2,0,1)
33.62	2.6657	38.8	(0,0,4)
35.95	2.4980	100.0	(2,-2,2)
36.19	2.4820	49.1	(2,0,2)
37.34	2.4081	1.4	(1,-2,3)
37.35	2.4076	1.8	(1,0,4)
40.78	2.2128	1.1	(2,-2,3)

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Energy Properties

Formation Energy/atom

0.24887

eV/atom

Energy/atom

-1.84239

eV/atom

Energy above Hull

0.2489

eV/atom

Uncorrected Energy

-1.8424

eV/atom

Volume/atom

24.48

Å³

c/a Ratio

1.6418

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.1851

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010690

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

0.657

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgksg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026642

Reference Citation

The crystal structure and related material properties of RbMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026642, 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   6.49458638
_cell_length_b   6.54815710
_cell_length_c   10.66270687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.27324149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Cr
_chemical_formula_sum   'Rb1 Mg14 Cr1'
_cell_volume   391.62131601
_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  0.16630383  0.33315142  0.12500000  1.0
  Mg  Mg1  1  0.16834987  0.33417444  0.62500000  1.0
  Mg  Mg2  1  0.16485172  0.83242536  0.62500000  1.0
  Mg  Mg3  1  0.66378348  0.32827738  0.12500000  1.0
  Mg  Mg4  1  0.66694619  0.33616640  0.62500000  1.0
  Mg  Mg5  1  0.66378348  0.83550510  0.12500000  1.0
  Mg  Mg6  1  0.66694619  0.83077879  0.62500000  1.0
  Mg  Mg7  1  0.33690623  0.15776440  0.38649248  1.0
  Mg  Mg8  1  0.33690623  0.15776440  0.86350752  1.0
  Mg  Mg9  1  0.33690623  0.67914284  0.38649248  1.0
  Mg  Mg10  1  0.33690623  0.67914284  0.86350752  1.0
  Mg  Mg11  1  0.82290447  0.16145274  0.39228539  1.0
  Mg  Mg12  1  0.82290447  0.16145274  0.85771461  1.0
  Mg  Mg13  1  0.83704709  0.66852404  0.36706064  1.0
  Mg  Mg14  1  0.83704709  0.66852404  0.88293936  1.0
  Cr  Cr15  1  0.17150718  0.83575309  0.12500000  1.0

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