RbMg14Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026893 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

RbMg14Co

MP-ID

mp-1026893

Elements

Sites

Density

2.1153

g/cm³

Volume

380.47

Å³

Cell a

6.5445

Cell b

6.4158

Cell c

10.3961

α Angle

90.00

β Angle

90.00

γ Angle

119.35

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
8.51	10.3961	73.6	(0,0,1)
15.53	5.7043	19.0	(1,0,0)
15.85	5.5922	2.8	(1,-1,0)
15.85	5.5922	2.8	(0,1,0)
17.06	5.1980	19.2	(0,0,2)
17.74	5.0010	26.5	(1,0,1)
18.01	4.9249	1.7	(1,-1,1)
18.01	4.9249	1.7	(0,1,1)
23.15	3.8421	13.6	(1,0,2)
23.36	3.8073	5.3	(1,-1,2)
25.71	3.4654	7.0	(0,0,3)
27.26	3.2714	3.0	(2,-1,0)
27.26	3.2714	3.0	(1,1,0)
27.81	3.2079	5.5	(1,-2,0)
28.61	3.1205	15.4	(2,-1,1)
29.13	3.0653	10.5	(1,-2,1)
30.18	2.9617	8.5	(1,0,3)
30.34	2.9456	14.1	(1,-1,3)
31.36	2.8522	14.6	(2,0,0)
32.01	2.7961	30.8	(2,-2,0)
32.01	2.7961	30.8	(0,2,0)
32.33	2.7687	11.5	(2,-1,2)
32.55	2.7505	2.7	(2,0,1)
32.81	2.7299	7.6	(1,-2,2)

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Energy Properties

Formation Energy/atom

0.23971

eV/atom

Energy/atom

-1.69407

eV/atom

Energy above Hull

0.2403

eV/atom

Uncorrected Energy

-1.6941

eV/atom

Volume/atom

23.78

Å³

c/a Ratio

1.5885

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.8298

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002180

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

0.5525

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.640%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1879

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.539

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.662

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacglbx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026893

Reference Citation

The crystal structure and related material properties of RbMg14Co were obtained from the Materials Project database (MP-ID: mp-1026893, 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_RbMg14Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54444736
_cell_length_b   6.41576572
_cell_length_c   10.39605552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.35167190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Co
_chemical_formula_sum   'Rb1 Mg14 Co1'
_cell_volume   380.47053171
_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  0.11738989  0.80869445  0.12500000  1.0
  Mg  Mg1  1  0.16526956  0.33263428  0.62500000  1.0
  Mg  Mg2  1  0.17481700  0.83740800  0.62500000  1.0
  Mg  Mg3  1  0.61672008  0.31680166  0.12500000  1.0
  Mg  Mg4  1  0.66575496  0.32717143  0.62500000  1.0
  Mg  Mg5  1  0.61672008  0.79991742  0.12500000  1.0
  Mg  Mg6  1  0.66575496  0.83858253  0.62500000  1.0
  Mg  Mg7  1  0.34208502  0.18225834  0.37961778  1.0
  Mg  Mg8  1  0.34208502  0.18225834  0.87038222  1.0
  Mg  Mg9  1  0.34208502  0.65982768  0.37961778  1.0
  Mg  Mg10  1  0.34208502  0.65982768  0.87038222  1.0
  Mg  Mg11  1  0.85989545  0.17994823  0.34577691  1.0
  Mg  Mg12  1  0.85989545  0.17994823  0.90422309  1.0
  Mg  Mg13  1  0.82685963  0.66343031  0.39773434  1.0
  Mg  Mg14  1  0.82685963  0.66343031  0.85226566  1.0
  Co  Co15  1  0.23572324  0.36786112  0.12500000  1.0

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