Lu6Sb2Mo

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-11755 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

Lu6Sb2Mo

MP-ID

mp-11755

Elements

Sites

Density

9.8815

g/cm³

Volume

233.46

Å³

Cell a

7.9331

Cell b

7.9331

Cell c

4.2835

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
12.89	6.8703	4.3	(1,-1,0,0)
12.89	6.8702	2.1	(1,0,-1,0)
20.74	4.2835	2.5	(0,0,0,1)
22.41	3.9665	1.0	(2,-1,-1,0)
24.49	3.6349	1.9	(1,-1,0,1)
30.72	2.9104	50.0	(1,-2,1,1)
30.72	2.9104	100.0	(2,-1,-1,1)
33.44	2.6798	60.6	(2,-2,0,1)
33.44	2.6798	30.3	(2,0,-2,1)
34.54	2.5967	27.0	(2,-3,1,0)
34.54	2.5967	13.5	(3,-2,-1,0)
34.54	2.5967	13.5	(1,2,-3,0)
34.54	2.5967	27.0	(3,-1,-2,0)
39.34	2.2901	26.8	(3,-3,0,0)
39.34	2.2901	13.4	(3,0,-3,0)
40.63	2.2206	7.6	(2,-3,1,1)
40.63	2.2206	7.6	(1,-3,2,1)
40.63	2.2206	15.2	(3,-2,-1,1)
40.63	2.2206	7.6	(3,-1,-2,1)
40.63	2.2206	7.6	(2,1,-3,1)
42.19	2.1418	36.8	(0,0,0,2)
45.75	1.9833	2.1	(2,-4,2,0)
45.75	1.9833	2.1	(4,-2,-2,0)
45.75	1.9833	2.1	(2,2,-4,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.62537

eV/atom

Energy/atom

-34.62136

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.6214

eV/atom

Volume/atom

25.94

Å³

c/a Ratio

0.5400

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

64.762

GPa

G_VRH

37.541

GPa

Young's Modulus E

94.385

GPa

Poisson Ratio ν

0.257

Pugh Ratio K/G

1.725

Vickers Hardness Est.

5.811

GPa

Ductility

Ductile

Anisotropy

0.339

Lame λ

39.735

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Lu · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

5.2320

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.233%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3861

smaller = more stable mixing

VEC

3.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.436

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.632

Family

Lu-rich Multi-Component

Matrix Element

Lu · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3390

Homogeneous Poisson ν

0.2570

Debye Temperature

348.3

Sound Velocity

2,165.7

m/s

Homogeneity

0.2570

Related Tasks

Related computation task IDs (5)

aaadnbfa aaadslvp aaaemmum aaaetxac aaafiepp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-11755

Reference Citation

The crystal structure and related material properties of Lu6Sb2Mo were obtained from the Materials Project database (MP-ID: mp-11755, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Lu6Sb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93307609
_cell_length_b   7.93308412
_cell_length_c   4.28349110
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00004189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu6Sb2Mo
_chemical_formula_sum   'Lu6 Sb2 Mo1'
_cell_volume   233.45973953
_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  0.60630465  0.00000000  0.50000000  1.0
  Lu  Lu1  1  0.39369535  0.39369535  0.50000000  1.0
  Lu  Lu2  1  0.00000000  0.60630365  0.50000000  1.0
  Lu  Lu3  1  -0.00000000  0.23809591  -0.00000000  1.0
  Lu  Lu4  1  0.76190409  0.76190309  0.00000000  1.0
  Lu  Lu5  1  0.23809591  -0.00000000  0.00000000  1.0
  Sb  Sb6  1  0.66666700  0.33333300  0.00000000  1.0
  Sb  Sb7  1  0.33333300  0.66666700  0.00000000  1.0
  Mo  Mo8  1  0.00000000  0.00000100  0.50000000  1.0

Get direct link