Mg2Rh6C

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202352 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Mg2Rh6C

MP-ID

mp-3202352

Elements

Sites

Density

9.2588

g/cm³

Volume

121.61

Å³

Cell a

5.5611

Cell b

5.5611

Cell c

5.5611

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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 20)

2θ	d (Å)	I	hkl
22.61	3.9323	29.2	(1,1,0)
32.19	2.7805	8.6	(1,-1,0)
32.19	2.7805	8.6	(2,1,1)
39.70	2.2703	33.3	(0,2,0)
39.70	2.2703	100.0	(2,0,0)
46.17	1.9661	68.0	(2,2,0)
50.59	1.8043	1.3	(2,0,-1)
52.00	1.7586	11.1	(2,1,-1)
57.40	1.6053	7.0	(3,1,0)
61.24	1.5135	1.4	(3,0,0)
67.35	1.3903	35.2	(2,0,-2)
67.35	1.3903	7.0	(2,2,4)
72.05	1.3108	4.1	(3,0,-1)
76.63	1.2435	2.2	(3,2,-1)
81.12	1.1856	11.8	(2,4,0)
81.12	1.1856	35.3	(4,2,0)
85.55	1.1352	7.2	(4,0,0)
85.55	1.1352	7.2	(4,4,4)
89.96	1.0906	1.3	(3,-2,1)
89.96	1.0906	1.3	(5,3,2)

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Energy Properties

Formation Energy/atom

-0.28538

eV/atom

Energy/atom

-18.40796

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.4080

eV/atom

Volume/atom

13.51

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.667

Element Family

4d-TM

Solute Fraction

0.333

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

0.4303

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.938%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4275

smaller = more stable mixing

VEC

6.889

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-34.779

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.632

Family

Interstitial Alloy

Matrix Element

Rh · 0.667

Related Tasks

Related computation task IDs (1)

aaahaffk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202352

Reference Citation

The crystal structure and related material properties of Mg2Rh6C were obtained from the Materials Project database (MP-ID: mp-3202352, 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_Mg2Rh6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56105789
_cell_length_b   5.56105819
_cell_length_c   5.56105774
_cell_angle_alpha   60.00000268
_cell_angle_beta   60.00000088
_cell_angle_gamma   60.00000238
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Rh6C
_chemical_formula_sum   'Mg2 Rh6 C1'
_cell_volume   121.60663780
_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
  Mg  Mg0  1  0.25000000  0.25000000  0.25000000  1.0
  Mg  Mg1  1  0.75000000  0.75000000  0.75000000  1.0
  Rh  Rh2  1  0.75684517  0.75684517  0.24315383  1.0
  Rh  Rh3  1  0.75684517  0.24315383  0.24315383  1.0
  Rh  Rh4  1  0.24315383  0.75684517  0.24315383  1.0
  Rh  Rh5  1  0.24315383  0.24315383  0.75684517  1.0
  Rh  Rh6  1  0.75684517  0.24315383  0.75684517  1.0
  Rh  Rh7  1  0.24315383  0.75684517  0.75684517  1.0
  C  C8  1  0.50000000  0.50000000  0.50000000  1.0

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