LuSbPt

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10194 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

LuSbPt

MP-ID

mp-10194

Elements

Sites

Density

11.9874

g/cm³

Volume

68.13

Å³

Cell a

4.5844

Cell b

4.5844

Cell c

4.5844

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

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
23.77	3.7431	81.3	(1,1,1)
27.52	3.2416	11.7	(1,1,0)
39.31	2.2922	100.0	(2,1,1)
39.31	2.2922	100.0	(1,0,-1)
46.45	1.9548	3.5	(2,2,1)
46.45	1.9548	28.0	(2,1,2)
46.45	1.9548	10.5	(1,1,-1)
48.65	1.8716	2.3	(2,0,0)
56.80	1.6208	34.4	(2,2,0)
62.44	1.4874	4.4	(3,2,2)
62.44	1.4874	4.4	(3,1,1)
62.44	1.4874	8.8	(2,0,-1)
64.25	1.4497	1.3	(2,1,3)
64.25	1.4497	1.6	(2,-1,1)
71.26	1.3234	17.5	(3,3,2)
71.26	1.3234	11.7	(3,1,0)
71.26	1.3234	40.8	(1,3,0)
76.32	1.2477	1.7	(3,3,1)
76.32	1.2477	6.6	(1,3,3)
76.32	1.2477	4.2	(2,2,-1)
84.54	1.1461	11.3	(4,2,2)
84.54	1.1461	7.5	(2,0,-2)
84.54	1.1461	3.8	(0,2,-2)
89.41	1.0959	3.5	(4,2,3)

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Energy Properties

Formation Energy/atom

-1.36635

eV/atom

Energy/atom

-39.79099

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.7910

eV/atom

Volume/atom

22.71

Å³

c/a Ratio

1.0000

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

K_VRH

104.751

GPa

G_VRH

50.093

GPa

Young's Modulus E

129.618

GPa

Poisson Ratio ν

0.294

Pugh Ratio K/G

2.091

Vickers Hardness Est.

5.328

GPa

Ductility

Brittle

Anisotropy

0.036

Lame λ

71.356

GPa

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

165.8059

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.293%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4322

smaller = more stable mixing

VEC

5.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.089

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

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0360

Homogeneous Poisson ν

0.2940

Debye Temperature

277.7

Sound Velocity

2,281.6

m/s

Homogeneity

0.2940

Related Tasks

Related computation task IDs (5)

aaadmnms aaadrmpz aaaegpsc aaaeumzq aaafxigs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10194

Reference Citation

The crystal structure and related material properties of LuSbPt were obtained from the Materials Project database (MP-ID: mp-10194, 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_LuSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58437081
_cell_length_b   4.58437061
_cell_length_c   4.58437054
_cell_angle_alpha   59.99998576
_cell_angle_beta   59.99998727
_cell_angle_gamma   59.99998592
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuSbPt
_chemical_formula_sum   'Lu1 Sb1 Pt1'
_cell_volume   68.12774886
_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
  Lu  Lu0  1  0.50000000  0.50000000  0.50000000  1.0
  Sb  Sb1  1  -0.00000000  -0.00000000  0.00000000  1.0
  Pt  Pt2  1  0.25000000  0.25000000  0.25000000  1.0

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