RbMg14FeO16

High-Entropy Materials HEA

MP-ID: mp-1035557 · Space group: Pmmm (#47)

Materials Project API

Basic Information

Formula

RbMg14FeO16

MP-ID

mp-1035557

Elements

Sites

Density

3.6931

g/cm³

Volume

331.64

Å³

Cell a

8.7445

Cell b

8.6610

Cell c

4.3789

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmmm

Point Group

mmm

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
10.12	8.7445	29.5	(1,0,0)
10.21	8.6610	1.0	(0,1,0)
20.28	4.3789	9.8	(0,0,1)
20.31	4.3722	10.5	(2,0,0)
20.51	4.3305	10.2	(0,2,0)
22.71	3.9154	12.4	(1,0,1)
22.92	3.8807	13.1	(1,2,0)
24.96	3.5678	1.1	(1,1,1)
28.86	3.0940	8.7	(2,0,1)
29.00	3.0791	8.6	(0,2,1)
29.02	3.0768	9.1	(2,2,0)
30.67	2.9148	8.0	(3,0,0)
30.79	2.9043	15.3	(1,2,1)
30.98	2.8870	1.3	(0,3,0)
32.41	2.7626	1.2	(3,1,0)
35.66	2.5175	62.7	(2,2,1)
37.05	2.4264	6.4	(3,0,1)
37.18	2.4181	6.4	(3,2,0)
37.33	2.4092	1.5	(2,3,0)
41.23	2.1894	100.0	(0,0,2)
41.30	2.1861	96.3	(4,0,0)
41.71	2.1652	93.8	(0,4,0)
42.57	2.1239	1.9	(1,0,2)
42.72	2.1168	4.7	(3,2,1)

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Energy Properties

Formation Energy/atom

-2.68895

eV/atom

Energy/atom

-6.17159

eV/atom

Energy above Hull

0.1911

eV/atom

Uncorrected Energy

-5.7576

eV/atom

Volume/atom

10.36

Å³

c/a Ratio

0.5008

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.6904

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.014140

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9249

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6892

J/mol·K

Ω Parameter

17.4900

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

47.876%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0715

smaller = more stable mixing

VEC

3.156

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.219

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6671

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacgyck aaadzavt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1035557

Reference Citation

The crystal structure and related material properties of RbMg14FeO16 were obtained from the Materials Project database (MP-ID: mp-1035557, 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_RbMg14FeO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74446800
_cell_length_b   8.66095600
_cell_length_c   4.37887100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14FeO16
_chemical_formula_sum   'Rb1 Mg14 Fe1 O16'
_cell_volume   331.63577702
_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  0.00000000  0.50000000  0.00000000  1.0
  Mg  Mg1  1  0.50000000  0.00000000  0.00000000  1.0
  Mg  Mg2  1  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg3  1  0.00000000  0.24476400  0.50000000  1.0
  Mg  Mg4  1  0.00000000  0.75523600  0.50000000  1.0
  Mg  Mg5  1  0.50000000  0.24956700  0.50000000  1.0
  Mg  Mg6  1  0.50000000  0.75043300  0.50000000  1.0
  Mg  Mg7  1  0.25354900  0.00000000  0.50000000  1.0
  Mg  Mg8  1  0.26017500  0.50000000  0.50000000  1.0
  Mg  Mg9  1  0.74645100  0.00000000  0.50000000  1.0
  Mg  Mg10  1  0.73982500  0.50000000  0.50000000  1.0
  Mg  Mg11  1  0.25726100  0.24945200  0.00000000  1.0
  Mg  Mg12  1  0.25726100  0.75054800  0.00000000  1.0
  Mg  Mg13  1  0.74273900  0.24945200  0.00000000  1.0
  Mg  Mg14  1  0.74273900  0.75054800  0.00000000  1.0
  Fe  Fe15  1  0.00000000  0.00000000  0.00000000  1.0
  O  O16  1  0.25489700  0.00000000  0.00000000  1.0
  O  O17  1  0.27966000  0.50000000  0.00000000  1.0
  O  O18  1  0.74510300  0.00000000  0.00000000  1.0
  O  O19  1  0.72034000  0.50000000  0.00000000  1.0
  O  O20  1  0.24910900  0.24954400  0.50000000  1.0
  O  O21  1  0.24910900  0.75045600  0.50000000  1.0
  O  O22  1  0.75089100  0.24954400  0.50000000  1.0
  O  O23  1  0.75089100  0.75045600  0.50000000  1.0
  O  O24  1  0.00000000  0.00000000  0.50000000  1.0
  O  O25  1  0.00000000  0.50000000  0.50000000  1.0
  O  O26  1  0.50000000  0.00000000  0.50000000  1.0
  O  O27  1  0.50000000  0.50000000  0.50000000  1.0
  O  O28  1  0.00000000  0.21899100  0.00000000  1.0
  O  O29  1  0.00000000  0.78100900  0.00000000  1.0
  O  O30  1  0.50000000  0.24262200  0.00000000  1.0
  O  O31  1  0.50000000  0.75737800  0.00000000  1.0

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