Sm10Si16Ge

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295545 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Sm10Si16Ge

MP-ID

mp-3295545

Elements

Sites

Density

5.9089

g/cm³

Volume

569.24

Å³

Cell a

11.2585

Cell b

11.2471

Cell c

11.2604

α Angle

144.57

β Angle

136.01

γ Angle

57.73

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

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
13.70	6.4649	1.7	(0,1,0)
17.11	5.1836	1.4	(1,2,-2)
17.11	5.1823	1.4	(2,1,-1)
21.07	4.2171	89.7	(1,-1,1)
26.02	3.4244	91.5	(1,-1,-1)
26.06	3.4197	91.9	(3,2,-3)
26.11	3.4131	97.7	(2,3,-2)
33.55	2.6709	1.4	(3,4,-4)
33.56	2.6705	1.4	(4,3,-3)
33.72	2.6583	99.7	(2,-2,0)
33.72	2.6583	100.0	(0,0,2)
33.74	2.6564	99.1	(2,3,-4)
33.75	2.6558	99.3	(4,1,-2)
33.78	2.6534	94.8	(1,4,-3)
33.79	2.6528	94.4	(3,2,-1)
42.89	2.1085	66.4	(2,-2,2)
45.89	1.9774	52.9	(4,1,-4)
45.98	1.9736	51.6	(1,4,-1)
46.05	1.9709	51.2	(5,5,-5)
50.86	1.7955	15.1	(3,-3,1)
50.86	1.7955	14.9	(1,-1,3)
50.87	1.7950	15.2	(1,4,-5)
50.88	1.7946	15.0	(5,0,-1)
50.90	1.7940	16.0	(0,5,-4)

Get direct link

Energy Properties

Formation Energy/atom

-0.74037

eV/atom

Energy/atom

-17.46560

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.4656

eV/atom

Volume/atom

21.08

Å³

c/a Ratio

1.0002

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0009

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

Si · 0.593

Element Family

Metalloid-Nonmetal

Solute Fraction

0.407

Interstitial Fraction

0.593

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8000

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6513

J/mol·K

Ω Parameter

38.9601

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

22.911%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3562

smaller = more stable mixing

VEC

4.741

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.263

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7282

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.549

Family

Interstitial Alloy

Matrix Element

Si · 0.593

Related Tasks

Related computation task IDs (1)

aaahfnbt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295545

Reference Citation

The crystal structure and related material properties of Sm10Si16Ge were obtained from the Materials Project database (MP-ID: mp-3295545, 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_Sm10Si16Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.25851024
_cell_length_b   11.24711215
_cell_length_c   11.26042291
_cell_angle_alpha   144.56921206
_cell_angle_beta   136.00882916
_cell_angle_gamma   57.73095240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm10Si16Ge
_chemical_formula_sum   'Sm10 Si16 Ge1'
_cell_volume   569.24368363
_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
  Sm  Sm0  1  0.75436037  0.76242641  0.51702799  1.0
  Sm  Sm1  1  0.44924212  0.96549032  0.01522459  1.0
  Sm  Sm2  1  0.84830642  0.36617674  0.01493677  1.0
  Sm  Sm3  1  0.95003937  0.96538701  0.51596761  1.0
  Sm  Sm4  1  0.15148971  0.16515372  0.51701199  1.0
  Sm  Sm5  1  0.35137309  0.36596681  0.51800996  1.0
  Sm  Sm6  1  0.24538775  0.76224060  0.00805300  1.0
  Sm  Sm7  1  0.54816779  0.56299499  0.51054647  1.0
  Sm  Sm8  1  0.05231612  0.56278389  0.01445481  1.0
  Sm  Sm9  1  0.64800858  0.16513780  0.01334950  1.0
  Si  Si10  1  0.19871004  0.59582906  0.39768115  1.0
  Si  Si11  1  0.00000757  0.08694494  0.08692135  1.0
  Si  Si12  1  0.69965324  0.29367837  0.59349615  1.0
  Si  Si13  1  0.80137796  0.19807083  0.39676357  1.0
  Si  Si14  1  0.89680074  0.50184531  0.60438303  1.0
  Si  Si15  1  0.41054614  0.85492627  0.44490080  1.0
  Si  Si16  1  0.10226819  0.70830455  0.60530813  1.0
  Si  Si17  1  0.29967215  0.89628273  0.59607281  1.0
  Si  Si18  1  0.58915610  0.03539909  0.44658086  1.0
  Si  Si19  1  0.00012910  0.43205648  0.43242980  1.0
  Si  Si20  1  0.88755095  0.83692550  0.94975069  1.0
  Si  Si21  1  0.39921178  0.49929392  0.09921132  1.0
  Si  Si22  1  0.11318319  0.06424558  0.95174121  1.0
  Si  Si23  1  0.29147647  0.23874499  0.94765076  1.0
  Si  Si24  1  0.50011447  0.40668330  0.90716104  1.0
  Si  Si25  1  0.59890731  0.70173815  0.10206145  1.0
  Ge  Ge26  1  0.71254130  0.66676863  0.95480321  1.0

Get direct link