LuSnRh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079148 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

LuSnRh

MP-ID

mp-1079148

Elements

Sites

Density

10.9676

g/cm³

Volume

180.13

Å³

Cell a

7.5155

Cell b

7.5155

Cell c

3.6825

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
23.68	3.7578	3.4	(2,-1,-1,0)
27.41	3.2543	4.0	(2,0,-2,0)
27.41	3.2543	2.0	(2,-2,0,0)
34.09	2.6301	100.0	(2,-1,-1,1)
36.53	2.4600	40.6	(3,-1,-2,0)
36.86	2.4386	71.1	(2,0,-2,1)
41.63	2.1695	27.3	(3,0,-3,0)
41.63	2.1695	13.6	(3,-3,0,0)
44.28	2.0456	16.2	(3,-1,-2,1)
48.45	1.8789	1.8	(4,-2,-2,0)
49.50	1.8413	19.6	(0,0,0,2)
50.56	1.8052	4.7	(3,1,-4,0)
50.56	1.8052	9.4	(4,-1,-3,0)
54.86	1.6736	6.2	(4,-2,-2,1)
56.56	1.6272	1.2	(4,0,-4,0)
56.80	1.6209	4.9	(3,1,-4,1)
56.80	1.6209	9.7	(4,-1,-3,1)
57.51	1.6025	1.5	(2,0,-2,2)
62.17	1.4932	2.1	(5,-2,-3,0)
62.17	1.4932	1.1	(5,-3,-2,0)
62.39	1.4883	1.6	(4,0,-4,1)
63.06	1.4741	11.4	(3,-1,-2,2)
63.06	1.4741	5.7	(3,-2,-1,2)
65.75	1.4203	1.6	(5,-1,-4,0)

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Energy Properties

Formation Energy/atom

-0.89912

eV/atom

Energy/atom

-6.19764

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.9500

eV/atom

Volume/atom

20.01

Å³

c/a Ratio

0.4900

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Lu · 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

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

4.8692

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.969%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4215

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.918

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Lu-rich Multi-Component

Matrix Element

Lu · 0.333

Related Tasks

Related computation task IDs (5)

aaadncfy aaadsnmw aaaemgqr aaaeubzg aaafcpte

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079148

Reference Citation

The crystal structure and related material properties of LuSnRh were obtained from the Materials Project database (MP-ID: mp-1079148, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_LuSnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51549808
_cell_length_b   7.51549808
_cell_length_c   3.68253073
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999344
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuSnRh
_chemical_formula_sum   'Lu3 Sn3 Rh3'
_cell_volume   180.13270711
_cell_formula_units_Z   3
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
  Lu  Lu0  1  0.40199877  0.40199877  0.50000000  1.0
  Lu  Lu1  1  0.59800123  0.00000000  0.50000000  1.0
  Lu  Lu2  1  0.00000000  0.59800123  0.50000000  1.0
  Sn  Sn3  1  0.73313206  0.73313206  0.00000000  1.0
  Sn  Sn4  1  0.26686794  0.00000000  0.00000000  1.0
  Sn  Sn5  1  0.00000000  0.26686794  -0.00000000  1.0
  Rh  Rh6  1  0.66666700  0.33333300  -0.00000000  1.0
  Rh  Rh7  1  0.33333300  0.66666700  0.00000000  1.0
  Rh  Rh8  1  -0.00000000  0.00000000  0.50000000  1.0

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