RbMg14Fe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028050 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

RbMg14Fe

MP-ID

mp-1028050

Elements

Sites

Density

2.0856

g/cm³

Volume

383.43

Å³

Cell a

6.5211

Cell b

6.4776

Cell c

10.4583

α Angle

90.00

β Angle

90.00

γ Angle

119.78

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
8.45	10.4583	60.0	(0,0,1)
15.66	5.6599	17.4	(1,0,0)
15.76	5.6222	1.3	(1,-1,0)
15.76	5.6222	1.3	(0,1,0)
16.96	5.2292	16.7	(0,0,2)
17.82	4.9777	25.8	(1,0,1)
17.91	4.9520	2.8	(1,-1,1)
23.16	3.8408	14.3	(1,0,2)
23.23	3.8290	4.9	(1,-1,2)
25.55	3.4861	8.0	(0,0,3)
27.35	3.2604	2.2	(2,-1,0)
27.54	3.2388	5.0	(1,-2,0)
28.68	3.1127	6.3	(2,-1,1)
28.86	3.0939	9.3	(1,-2,1)
30.11	2.9683	8.2	(1,0,3)
30.16	2.9628	8.5	(1,-1,3)
31.62	2.8300	21.8	(2,0,0)
31.83	2.8111	27.6	(2,-2,0)
31.83	2.8111	27.6	(0,2,0)
32.36	2.7667	3.7	(2,-1,2)
32.52	2.7534	6.6	(1,-2,2)
32.78	2.7317	4.9	(2,0,1)
33.00	2.7147	6.0	(2,-2,1)
33.00	2.7147	6.0	(0,2,1)

Get direct link

Energy Properties

Formation Energy/atom

0.25527

eV/atom

Energy/atom

-1.76205

eV/atom

Energy above Hull

0.2553

eV/atom

Uncorrected Energy

-1.7621

eV/atom

Volume/atom

23.96

Å³

c/a Ratio

1.6038

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.4383

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.006360

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

4.1405

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.565%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1786

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.875

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.612

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmuk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028050

Reference Citation

The crystal structure and related material properties of RbMg14Fe were obtained from the Materials Project database (MP-ID: mp-1028050, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_RbMg14Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52107223
_cell_length_b   6.47761598
_cell_length_c   10.45833399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.77980692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Fe
_chemical_formula_sum   'Rb1 Mg14 Fe1'
_cell_volume   383.43053399
_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  0.14337246  0.82168573  0.12500000  1.0
  Mg  Mg1  1  0.16493616  0.33246758  0.62500000  1.0
  Mg  Mg2  1  0.17361875  0.83680887  0.62500000  1.0
  Mg  Mg3  1  0.64223710  0.32924260  0.12500000  1.0
  Mg  Mg4  1  0.66559496  0.32595436  0.62500000  1.0
  Mg  Mg5  1  0.64223710  0.81299350  0.12500000  1.0
  Mg  Mg6  1  0.66559496  0.83963960  0.62500000  1.0
  Mg  Mg7  1  0.33823333  0.18161522  0.38198776  1.0
  Mg  Mg8  1  0.33823333  0.18161522  0.86801224  1.0
  Mg  Mg9  1  0.33823333  0.65661911  0.38198776  1.0
  Mg  Mg10  1  0.33823333  0.65661911  0.86801224  1.0
  Mg  Mg11  1  0.84860689  0.17430394  0.35578021  1.0
  Mg  Mg12  1  0.84860689  0.17430394  0.89421979  1.0
  Mg  Mg13  1  0.82306658  0.66153379  0.39645633  1.0
  Mg  Mg14  1  0.82306658  0.66153379  0.85354367  1.0
  Fe  Fe15  1  0.20612828  0.35306364  0.12500000  1.0

Get direct link