LaSn6(RuRh)2

High-Entropy Materials HEA

MP-ID: mp-3252085 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

LaSn6(RuRh)2

MP-ID

mp-3252085

Elements

Sites

Density

8.8413

g/cm³

Volume

236.48

Å³

Cell a

6.9686

Cell b

6.9686

Cell c

6.8845

α Angle

119.56

β Angle

119.56

γ Angle

91.45

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
15.64	5.6668	31.3	(1,0,-1)
17.78	4.9895	3.1	(1,-1,0)
18.21	4.8713	5.8	(0,0,1)
18.24	4.8649	27.2	(1,1,-1)
25.56	3.4856	11.8	(1,-1,1)
25.57	3.4832	12.4	(2,0,-1)
25.88	3.4422	13.4	(1,1,-2)
29.83	2.9951	75.9	(2,-1,0)
30.37	2.9434	59.8	(1,0,-2)
30.37	2.9434	19.9	(0,1,1)
30.40	2.9406	60.7	(2,1,-2)
31.58	2.8334	100.0	(2,0,-2)
31.58	2.8334	33.3	(0,2,0)
36.00	2.4948	54.2	(2,-2,0)
36.90	2.4356	44.8	(0,0,2)
36.96	2.4324	14.1	(2,2,-2)
39.89	2.2601	99.4	(2,-1,-2)
39.89	2.2601	33.1	(1,-2,-1)
39.91	2.2589	22.1	(3,0,-2)
39.91	2.2589	66.3	(3,0,-1)
40.33	2.2365	19.8	(2,1,-3)
40.33	2.2365	59.5	(1,2,-3)
40.63	2.2205	35.3	(2,-2,1)
40.64	2.2199	18.7	(3,-1,-1)

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Energy Properties

Formation Energy/atom

-0.53315

eV/atom

Energy/atom

-25.74619

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.7462

eV/atom

Volume/atom

21.50

Å³

c/a Ratio

0.9879

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 · 0.545

Element Family

PostTransition-Noble

Solute Fraction

0.455

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1685

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.7151

J/mol·K

Ω Parameter

4.3375

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.170%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3095

smaller = more stable mixing

VEC

5.545

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.833

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8429

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdauf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252085

Reference Citation

The crystal structure and related material properties of LaSn6(RuRh)2 were obtained from the Materials Project database (MP-ID: mp-3252085, 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_LaSn6(RuRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96864374
_cell_length_b   6.96864321
_cell_length_c   6.88448471
_cell_angle_alpha   119.55856806
_cell_angle_beta   119.55856705
_cell_angle_gamma   91.44913148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSn6(RuRh)2
_chemical_formula_sum   'La1 Sn6 Ru2 Rh2'
_cell_volume   236.48246416
_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  0.00319678  0.00319678  0.00000000  1.0
  Sn  Sn1  1  0.47215575  0.12602379  0.00000000  1.0
  Sn  Sn2  1  0.12602379  0.47215575  0.00000000  1.0
  Sn  Sn3  1  0.87483931  0.87483931  0.34618012  1.0
  Sn  Sn4  1  0.52865919  0.52865919  0.65381988  1.0
  Sn  Sn5  1  0.99404251  0.49404251  0.50000000  1.0
  Sn  Sn6  1  0.49404251  0.99404251  0.50000000  1.0
  Ru  Ru7  1  0.25118069  0.25118069  0.65679484  1.0
  Ru  Ru8  1  0.59438585  0.59438585  0.34320516  1.0
  Rh  Rh9  1  0.39933879  0.76213582  0.00000000  1.0
  Rh  Rh10  1  0.76213582  0.39933879  0.00000000  1.0

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