TbIn2(SnRh)4

High-Entropy Materials HEA

MP-ID: mp-3252455 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

TbIn2(SnRh)4

MP-ID

mp-3252455

Elements

Sites

Density

9.1050

g/cm³

Volume

232.54

Å³

Cell a

6.9371

Cell b

6.9371

Cell c

6.8999

α Angle

120.45

β Angle

120.45

γ Angle

89.53

Space Group

Fmm2

Point Group

mm2

Crystal System

Orthorhombic

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
15.73	5.6355	11.0	(1,0,0)
18.01	4.9252	29.4	(1,1,-1)
18.16	4.8852	6.5	(1,-1,0)
18.36	4.8323	3.8	(0,0,1)
25.68	3.4684	10.5	(2,0,-1)
25.83	3.4493	12.5	(1,1,0)
25.94	3.4355	6.2	(1,-1,1)
30.17	2.9626	35.0	(2,1,-1)
30.17	2.9626	11.7	(1,2,-2)
30.35	2.9451	35.5	(2,-1,0)
30.35	2.9451	35.5	(1,-2,0)
30.60	2.9218	65.2	(1,0,1)
31.76	2.8177	89.6	(2,0,0)
36.49	2.4626	20.7	(2,2,-2)
36.80	2.4426	37.7	(2,-2,0)
37.21	2.4161	40.0	(0,0,2)
40.10	2.2488	17.7	(3,0,-1)
40.10	2.2488	53.0	(3,0,-2)
40.29	2.2384	69.0	(2,1,0)
40.43	2.2308	100.0	(2,-1,1)
41.05	2.1990	50.3	(3,1,-2)
41.14	2.1941	24.6	(2,2,-1)
41.14	2.1941	24.6	(2,2,-3)
41.26	2.1883	16.7	(3,-1,-1)

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Energy Properties

Formation Energy/atom

-0.62088

eV/atom

Energy/atom

-25.34026

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.3403

eV/atom

Volume/atom

21.14

Å³

c/a Ratio

0.9946

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

Sn · 0.364

Element Family

PostTransition-Noble

Solute Fraction

0.636

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2637

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5060

J/mol·K

Ω Parameter

1.8156

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.500%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3322

smaller = more stable mixing

VEC

6.091

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

7.079

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9115

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdbil

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252455

Reference Citation

The crystal structure and related material properties of TbIn2(SnRh)4 were obtained from the Materials Project database (MP-ID: mp-3252455, 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_TbIn2(SnRh)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93708823
_cell_length_b   6.93708771
_cell_length_c   6.89987934
_cell_angle_alpha   120.45052541
_cell_angle_beta   120.45052549
_cell_angle_gamma   89.53292859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbIn2(SnRh)4
_chemical_formula_sum   'Tb1 In2 Sn4 Rh4'
_cell_volume   232.53535579
_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  0.99996550  0.99996550  1.00000000  1.0
  In  In1  1  0.87563755  0.53910216  0.00000000  1.0
  In  In2  1  0.53910216  0.87563755  0.00000000  1.0
  Sn  Sn3  1  0.46093112  0.46093112  0.33403889  1.0
  Sn  Sn4  1  0.49881097  0.99881097  0.50000000  1.0
  Sn  Sn5  1  0.99881097  0.49881097  0.50000000  1.0
  Sn  Sn6  1  0.12689023  0.12689023  0.66596111  1.0
  Rh  Rh7  1  0.60401976  0.24923438  0.00000000  1.0
  Rh  Rh8  1  0.24923438  0.60401976  0.00000000  1.0
  Rh  Rh9  1  0.76096213  0.76096213  0.37532488  1.0
  Rh  Rh10  1  0.38563825  0.38563825  0.62467612  1.0

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