Tb4Mg4Pt3Rh

High-Entropy Materials HEA

MP-ID: mp-3293086 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Tb4Mg4Pt3Rh

MP-ID

mp-3293086

Elements

Sites

Density

9.3466

g/cm³

Volume

252.47

Å³

Cell a

4.1722

Cell b

7.0726

Cell c

8.5561

α Angle

89.86

β Angle

90.00

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
10.34	8.5560	5.4	(0,0,1)
12.52	7.0725	3.1	(0,1,0)
16.24	5.4578	9.7	(0,1,1)
16.28	5.4447	23.7	(0,1,-1)
20.76	4.2780	17.6	(0,0,2)
21.30	4.1722	1.2	(1,0,0)
23.73	3.7501	1.5	(1,0,1)
24.29	3.6644	34.1	(0,1,2)
24.34	3.6565	31.6	(0,1,-2)
24.78	3.5935	1.9	(1,1,0)
25.18	3.5363	2.2	(0,2,0)
26.90	3.3146	46.2	(1,1,1)
26.92	3.3117	47.8	(1,1,-1)
27.26	3.2710	2.4	(0,2,1)
27.31	3.2653	8.6	(0,2,-1)
29.91	2.9869	1.4	(1,0,2)
32.52	2.7533	36.4	(1,1,2)
32.56	2.7499	35.9	(1,1,-2)
32.82	2.7289	7.5	(0,2,2)
32.90	2.7224	7.9	(0,2,-2)
33.21	2.6977	20.4	(1,2,0)
33.86	2.6473	27.8	(0,1,3)
33.92	2.6428	18.0	(0,1,-3)
34.85	2.5742	100.0	(1,2,1)

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Energy Properties

Formation Energy/atom

-0.94680

eV/atom

Energy/atom

-27.62866

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.6287

eV/atom

Volume/atom

21.04

Å³

c/a Ratio

2.0507

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

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

Tb · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

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

0.6011

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.743%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5140

smaller = more stable mixing

VEC

6.917

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-27.522

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjle

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293086

Reference Citation

The crystal structure and related material properties of Tb4Mg4Pt3Rh were obtained from the Materials Project database (MP-ID: mp-3293086, 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_Tb4Mg4Pt3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17221837
_cell_length_b   7.07256243
_cell_length_c   8.55605032
_cell_angle_alpha   89.86025765
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4Mg4Pt3Rh
_chemical_formula_sum   'Tb4 Mg4 Pt3 Rh1'
_cell_volume   252.47353391
_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
  Tb  Tb0  1  0.25000000  0.54103760  0.17375957  1.0
  Tb  Tb1  1  0.75000000  0.46596263  0.82544338  1.0
  Tb  Tb2  1  0.25000000  0.03910850  0.32334407  1.0
  Tb  Tb3  1  0.75000000  0.95922122  0.67826504  1.0
  Mg  Mg4  1  0.25000000  0.13234782  0.93872910  1.0
  Mg  Mg5  1  0.75000000  0.86432159  0.05724972  1.0
  Mg  Mg6  1  0.25000000  0.63539573  0.56185328  1.0
  Mg  Mg7  1  0.75000000  0.36602276  0.43873400  1.0
  Pt  Pt8  1  0.75000000  0.75167297  0.37566987  1.0
  Pt  Pt9  1  0.25000000  0.25033334  0.62393652  1.0
  Pt  Pt10  1  0.75000000  0.25021156  0.12587648  1.0
  Rh  Rh11  1  0.25000000  0.74436329  0.87713896  1.0

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