Lu5(Sn3Os)6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296303 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

Lu5(Sn3Os)6

MP-ID

mp-3296303

Elements

Sites

Density

10.4478

g/cm³

Volume

660.06

Å³

Cell a

9.7731

Cell b

9.7731

Cell c

9.7731

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
11.09	7.9797	5.6	(1,0,0)
12.81	6.9107	14.5	(1,1,0)
18.15	4.8866	7.2	(1,0,-1)
21.32	4.1673	4.1	(1,1,-1)
22.28	3.9899	20.0	(2,0,0)
25.78	3.4553	9.1	(2,2,0)
28.89	3.0905	1.5	(2,1,-1)
31.72	2.8213	10.5	(2,-1,-1)
33.70	2.6599	100.0	(2,2,-1)
36.79	2.4433	75.2	(2,0,-2)
38.54	2.3362	22.9	(2,1,-2)
39.10	2.3036	22.6	(3,0,-1)
41.31	2.1853	1.1	(3,2,-1)
42.91	2.1077	3.6	(3,-1,-1)
43.43	2.0836	57.0	(2,2,-2)
45.47	1.9949	3.8	(4,0,0)
46.95	1.9354	2.7	(3,0,-2)
47.43	1.9167	1.4	(3,-2,1)
47.43	1.9167	6.9	(3,1,-2)
50.74	1.7994	2.5	(3,2,-2)
53.00	1.7277	6.6	(4,0,4)
53.00	1.7277	3.3	(4,4,0)
54.33	1.6885	2.0	(3,-2,-2)
56.50	1.6289	22.8	(3,0,-3)

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Energy Properties

Formation Energy/atom

-0.31262

eV/atom

Energy/atom

-33.20028

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.2003

eV/atom

Volume/atom

22.76

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0209

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.621

Element Family

PostTransition-Noble

Solute Fraction

0.379

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9251

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6911

J/mol·K

Ω Parameter

1.3108

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.109%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2987

smaller = more stable mixing

VEC

4.483

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

7.800

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8420

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.719

Family

Sn-rich Multi-Component

Matrix Element

Sn · 0.621

Related Tasks

Related computation task IDs (1)

aaahfoex

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296303

Reference Citation

The crystal structure and related material properties of Lu5(Sn3Os)6 were obtained from the Materials Project database (MP-ID: mp-3296303, 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_Lu5(Sn3Os)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77313123
_cell_length_b   9.77313118
_cell_length_c   9.77313133
_cell_angle_alpha   59.99999947
_cell_angle_beta   59.99999967
_cell_angle_gamma   60.00000342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu5(Sn3Os)6
_chemical_formula_sum   'Lu5 Sn18 Os6'
_cell_volume   660.06423864
_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  0.00000000  0.00000000  0.00000000  1.0
  Lu  Lu1  1  0.37267421  0.37267521  0.88197738  1.0
  Lu  Lu2  1  0.37267521  0.88197638  0.37267421  1.0
  Lu  Lu3  1  0.88197638  0.37267521  0.37267421  1.0
  Lu  Lu4  1  0.37267521  0.37267421  0.37267421  1.0
  Sn  Sn5  1  0.59318697  0.59318697  0.22044109  1.0
  Sn  Sn6  1  0.59318697  0.22044109  0.59318697  1.0
  Sn  Sn7  1  0.22044109  0.59318697  0.59318697  1.0
  Sn  Sn8  1  0.59318697  0.59318697  0.59318697  1.0
  Sn  Sn9  1  0.75000000  0.75000000  0.75000000  1.0
  Sn  Sn10  1  0.99787917  0.35213700  0.65210666  1.0
  Sn  Sn11  1  0.99787917  0.99787917  0.65210666  1.0
  Sn  Sn12  1  0.35213700  0.99787917  0.65210666  1.0
  Sn  Sn13  1  0.99787917  0.65210666  0.35213700  1.0
  Sn  Sn14  1  0.35213700  0.65210666  0.99787917  1.0
  Sn  Sn15  1  0.99787917  0.65210666  0.99787917  1.0
  Sn  Sn16  1  0.65210666  0.99787917  0.99787917  1.0
  Sn  Sn17  1  0.65210666  0.35213700  0.99787917  1.0
  Sn  Sn18  1  0.65210666  0.99787917  0.35213700  1.0
  Sn  Sn19  1  0.35213700  0.99787917  0.99787917  1.0
  Sn  Sn20  1  0.99787917  0.99787917  0.35213700  1.0
  Sn  Sn21  1  0.99787917  0.35213700  0.99787917  1.0
  Sn  Sn22  1  0.25000000  0.25000000  0.25000000  1.0
  Os  Os23  1  0.25576046  0.25576046  0.74423954  1.0
  Os  Os24  1  0.74423954  0.25576046  0.74423954  1.0
  Os  Os25  1  0.25576046  0.74423954  0.74423954  1.0
  Os  Os26  1  0.74423954  0.74423954  0.25576046  1.0
  Os  Os27  1  0.25576046  0.74423954  0.25576046  1.0
  Os  Os28  1  0.74423954  0.25576046  0.25576046  1.0

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