LaIn2(SnRh)4

High-Entropy Materials HEA

MP-ID: mp-3250131 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

LaIn2(SnRh)4

MP-ID

mp-3250131

Elements

Sites

Density

8.7851

g/cm³

Volume

237.22

Å³

Cell a

6.9675

Cell b

6.9675

Cell c

6.9402

α Angle

120.15

β Angle

120.15

γ Angle

89.96

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
15.62	5.6733	22.3	(1,0,-1)
18.00	4.9284	25.0	(1,1,-1)
18.01	4.9251	4.4	(1,-1,0)
18.15	4.8864	2.2	(0,0,1)
25.57	3.4838	10.3	(2,0,-1)
25.67	3.4700	12.2	(1,1,-2)
25.68	3.4688	9.3	(1,-1,1)
30.09	2.9694	43.1	(2,1,-2)
30.11	2.9680	62.9	(2,-1,-1)
30.29	2.9510	29.3	(1,0,-2)
30.29	2.9510	29.3	(1,0,1)
31.54	2.8366	46.9	(2,0,-2)
31.54	2.8366	46.9	(2,0,0)
36.46	2.4642	14.7	(2,2,-2)
36.49	2.4626	36.5	(2,-2,0)
36.79	2.4432	39.6	(0,0,2)
39.90	2.2596	67.5	(3,0,-2)
40.04	2.2521	66.4	(2,1,-3)
40.05	2.2514	100.0	(2,-1,-2)
40.95	2.2038	53.0	(3,1,-2)
40.97	2.2029	13.0	(3,-1,-1)
41.02	2.2003	51.4	(2,2,-3)
41.04	2.1991	34.2	(2,-2,1)
41.24	2.1890	16.3	(1,1,-3)

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Energy Properties

Formation Energy/atom

-0.64811

eV/atom

Energy/atom

-25.23280

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.2328

eV/atom

Volume/atom

21.57

Å³

c/a Ratio

0.9961

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

4.0909

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.920%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3322

smaller = more stable mixing

VEC

5.545

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.040

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9115

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcxxb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3250131

Reference Citation

The crystal structure and related material properties of LaIn2(SnRh)4 were obtained from the Materials Project database (MP-ID: mp-3250131, 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_LaIn2(SnRh)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96749666
_cell_length_b   6.96749636
_cell_length_c   6.94021197
_cell_angle_alpha   120.15234386
_cell_angle_beta   120.15234313
_cell_angle_gamma   89.96174500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIn2(SnRh)4
_chemical_formula_sum   'La1 In2 Sn4 Rh4'
_cell_volume   237.21724795
_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
  La  La0  1  0.00034866  0.00034866  1.00000000  1.0
  In  In1  1  0.46780247  0.12354134  0.00000000  1.0
  In  In2  1  0.12354134  0.46780247  0.00000000  1.0
  Sn  Sn3  1  0.87387074  0.87387074  0.34246893  1.0
  Sn  Sn4  1  0.50170409  0.00170409  0.50000000  1.0
  Sn  Sn5  1  0.00170409  0.50170409  0.50000000  1.0
  Sn  Sn6  1  0.53140181  0.53140181  0.65753207  1.0
  Rh  Rh7  1  0.74940868  0.40192141  0.00000000  1.0
  Rh  Rh8  1  0.40192141  0.74940868  0.00000000  1.0
  Rh  Rh9  1  0.60852767  0.60852767  0.36875763  1.0
  Rh  Rh10  1  0.23977004  0.23977004  0.63124337  1.0

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