Sm3Al10(SiOs2)2

High-Entropy Materials HEA

MP-ID: mp-3297270 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Sm3Al10(SiOs2)2

MP-ID

mp-3297270

Elements

Sites

Density

8.0533

g/cm³

Volume

634.24

Å³

Cell a

8.7104

Cell b

8.7104

Cell c

9.6528

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Hexagonal P

Stability

Yes

Packing Fraction

0.7400

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.90	5.9437	13.3	(1,0,-1,1)
18.38	4.8264	9.5	(0,0,0,2)
23.59	3.7717	33.6	(2,0,-2,0)
25.35	3.5131	18.6	(2,0,-2,1)
27.59	3.2334	1.8	(2,-1,-1,2)
30.07	2.9719	100.0	(2,0,-2,2)
30.20	2.9596	3.9	(1,0,-1,3)
31.37	2.8511	7.2	(3,-1,-2,0)
35.71	2.5145	1.8	(3,0,-3,0)
36.61	2.4548	11.1	(3,-1,-2,2)
36.71	2.4479	24.4	(2,0,-2,3)
36.94	2.4333	10.5	(3,0,-3,1)
37.26	2.4132	24.3	(0,0,0,4)
40.45	2.2300	3.2	(3,0,-3,2)
41.47	2.1776	53.0	(4,-2,-2,0)
44.57	2.0327	19.4	(2,0,-2,4)
45.71	1.9849	16.1	(4,-2,-2,2)
45.80	1.9813	5.4	(3,0,-3,3)
48.26	1.8859	2.0	(4,0,-4,0)
48.26	1.8859	4.1	(4,-4,0,0)
49.48	1.8420	3.3	(3,-1,-2,4)
52.07	1.7565	20.0	(4,0,-4,2)
53.31	1.7185	1.4	(2,0,-2,5)
53.82	1.7034	4.7	(5,-2,-3,1)

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Energy Properties

Formation Energy/atom

-0.71201

eV/atom

Energy/atom

-21.02823

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.0282

eV/atom

Volume/atom

16.69

Å³

c/a Ratio

1.1082

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Al · 0.526

Element Family

PostTransition-Noble

Solute Fraction

0.474

Interstitial Fraction

0.105

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1943

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.9292

J/mol·K

Ω Parameter

3.2287

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.035%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3247

smaller = more stable mixing

VEC

4.632

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.851

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8615

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfpqc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3297270

Reference Citation

The crystal structure and related material properties of Sm3Al10(SiOs2)2 were obtained from the Materials Project database (MP-ID: mp-3297270, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Sm3Al10(SiOs2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71038234
_cell_length_b   8.71038188
_cell_length_c   9.65275514
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al10(SiOs2)2
_chemical_formula_sum   'Sm6 Al20 Si4 Os8'
_cell_volume   634.24396672
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.19366613  0.38733225  0.25000000  1.0
  Sm  Sm1  1  0.80633387  0.61266775  0.75000000  1.0
  Sm  Sm2  1  0.61266775  0.80633387  0.25000000  1.0
  Sm  Sm3  1  0.38733225  0.19366613  0.75000000  1.0
  Sm  Sm4  1  0.19366613  0.80633387  0.25000000  1.0
  Sm  Sm5  1  0.80633387  0.19366613  0.75000000  1.0
  Al  Al6  1  0.16521601  0.33043202  0.57401910  1.0
  Al  Al7  1  0.83478399  0.66956798  0.42598090  1.0
  Al  Al8  1  0.66956798  0.83478399  0.57401910  1.0
  Al  Al9  1  0.83478399  0.66956798  0.07401910  1.0
  Al  Al10  1  0.33043202  0.16521601  0.42598090  1.0
  Al  Al11  1  0.16521601  0.33043202  0.92598090  1.0
  Al  Al12  1  0.16521601  0.83478399  0.57401910  1.0
  Al  Al13  1  0.33043202  0.16521601  0.07401910  1.0
  Al  Al14  1  0.83478399  0.16521601  0.42598090  1.0
  Al  Al15  1  0.66956798  0.83478399  0.92598090  1.0
  Al  Al16  1  0.83478399  0.16521601  0.07401910  1.0
  Al  Al17  1  0.16521601  0.83478399  0.92598090  1.0
  Al  Al18  1  0.56442941  0.12885782  0.25000000  1.0
  Al  Al19  1  0.43557059  0.87114218  0.75000000  1.0
  Al  Al20  1  0.87114218  0.43557059  0.25000000  1.0
  Al  Al21  1  0.12885782  0.56442941  0.75000000  1.0
  Al  Al22  1  0.56442941  0.43557059  0.25000000  1.0
  Al  Al23  1  0.43557059  0.56442941  0.75000000  1.0
  Al  Al24  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al25  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si26  1  0.33333300  0.66666700  0.03140403  1.0
  Si  Si27  1  0.66666700  0.33333300  0.96859597  1.0
  Si  Si28  1  0.66666700  0.33333300  0.53140403  1.0
  Si  Si29  1  0.33333300  0.66666700  0.46859597  1.0
  Os  Os30  1  0.50000000  0.00000000  0.00000000  1.0
  Os  Os31  1  0.00000000  0.50000000  0.00000000  1.0
  Os  Os32  1  0.50000000  0.00000000  0.50000000  1.0
  Os  Os33  1  0.50000000  0.50000000  0.00000000  1.0
  Os  Os34  1  0.00000000  0.50000000  0.50000000  1.0
  Os  Os35  1  0.50000000  0.50000000  0.50000000  1.0
  Os  Os36  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os37  1  0.00000000  0.00000000  0.50000000  1.0

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