Mg4SiGe3Rh4

High-Entropy Materials HEA

MP-ID: mp-3294832 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Mg4SiGe3Rh4

MP-ID

mp-3294832

Elements

Sites

Density

6.5189

g/cm³

Volume

192.28

Å³

Cell a

6.6328

Cell b

4.0632

Cell c

7.1349

α Angle

90.00

β Angle

89.61

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

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
12.41	7.1347	3.6	(0,0,1)
13.35	6.6326	3.9	(1,0,0)
18.20	4.8742	69.6	(1,0,1)
18.32	4.8416	100.0	(1,0,-1)
21.87	4.0632	2.2	(0,1,0)
24.96	3.5673	59.2	(0,0,2)
25.22	3.5308	75.2	(0,1,1)
25.71	3.4647	2.6	(1,1,0)
26.88	3.3163	49.7	(2,0,0)
28.33	3.1506	1.8	(1,0,2)
28.60	3.1210	25.5	(1,1,1)
28.68	3.1124	34.4	(1,1,-1)
29.63	3.0151	1.6	(2,0,1)
29.79	2.9996	1.4	(2,0,-1)
33.43	2.6808	3.5	(0,1,2)
34.92	2.5692	54.6	(2,1,0)
36.07	2.4898	49.3	(1,1,2)
36.21	2.4811	48.7	(1,1,-2)
36.88	2.4371	9.2	(2,0,2)
37.13	2.4213	43.7	(2,1,1)
37.14	2.4208	8.8	(2,0,-2)
37.26	2.4132	58.3	(2,1,-1)
37.83	2.3782	1.4	(0,0,3)
40.20	2.2435	9.1	(1,0,3)

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Energy Properties

Formation Energy/atom

-0.64303

eV/atom

Energy/atom

-14.27735

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.2774

eV/atom

Volume/atom

16.02

Å³

c/a Ratio

1.0757

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0036

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.083

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

0.4994

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.253%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4067

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-32.047

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmai

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294832

Reference Citation

The crystal structure and related material properties of Mg4SiGe3Rh4 were obtained from the Materials Project database (MP-ID: mp-3294832, 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_Mg4SiGe3Rh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63277395
_cell_length_b   4.06318328
_cell_length_c   7.13484908
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.61427398
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4SiGe3Rh4
_chemical_formula_sum   'Mg4 Si1 Ge3 Rh4'
_cell_volume   192.28108230
_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  0.98736062  0.75000000  0.17130053  1.0
  Mg  Mg1  1  0.48938750  0.75000000  0.32588322  1.0
  Mg  Mg2  1  0.51156795  0.24999900  0.67552615  1.0
  Mg  Mg3  1  0.00386183  0.24999900  0.82227985  1.0
  Si  Si4  1  0.70731370  0.75000000  0.87132493  1.0
  Ge  Ge5  1  0.28902208  0.24999900  0.12788331  1.0
  Ge  Ge6  1  0.78886303  0.24999900  0.37056069  1.0
  Ge  Ge7  1  0.21099608  0.75000000  0.63293266  1.0
  Rh  Rh8  1  0.66044649  0.24999900  0.03936274  1.0
  Rh  Rh9  1  0.15451254  0.24999900  0.45177685  1.0
  Rh  Rh10  1  0.84165890  0.75000000  0.55835725  1.0
  Rh  Rh11  1  0.35501029  0.75000000  0.95281583  1.0

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