Sm2Ga9Ir2Pt

High-Entropy Materials HEA

MP-ID: mp-3296243 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Sm2Ga9Ir2Pt

MP-ID

mp-3296243

Elements

Sites

Density

10.5996

g/cm³

Volume

472.41

Å³

Cell a

7.5749

Cell b

7.5749

Cell c

9.4943

α Angle

89.96

β Angle

89.96

γ Angle

119.87

Space Group

C2/m

Point Group

2/m

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
18.69	4.7471	21.5	(0,0,0,2)
23.44	3.7949	11.8	(1,1,-2,0)
23.49	3.7875	23.1	(2,-1,-1,0)
25.26	3.5255	1.4	(1,1,-2,1)
25.29	3.5222	1.3	(1,1,-2,-1)
25.31	3.5187	3.1	(2,-1,-1,1)
25.32	3.5171	3.5	(2,-1,-1,-1)
27.15	3.2843	1.2	(2,0,-2,0)
27.21	3.2779	3.2	(2,-2,0,0)
28.75	3.1050	4.4	(2,0,-2,1)
28.77	3.1028	4.0	(2,0,-2,-1)
30.13	2.9661	15.8	(1,1,-2,2)
30.17	2.9622	17.4	(1,1,-2,-2)
30.18	2.9616	35.1	(2,-1,-1,2)
30.20	2.9597	32.8	(2,-1,-1,-2)
33.15	2.7024	2.0	(2,0,-2,2)
33.19	2.6995	1.7	(2,0,-2,-2)
33.21	2.6973	7.4	(2,-2,0,2)
36.16	2.4841	5.8	(2,1,-3,0)
36.24	2.4785	3.9	(3,-2,-1,0)
36.96	2.4321	16.9	(1,1,-2,3)
37.00	2.4293	38.9	(2,-1,-1,3)
37.01	2.4289	18.8	(1,1,-2,-3)
37.03	2.4277	35.5	(2,-1,-1,-3)

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Energy Properties

Formation Energy/atom

-0.78517

eV/atom

Energy/atom

-23.54640

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.5464

eV/atom

Volume/atom

16.87

Å³

c/a Ratio

1.2534

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

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

Ga · 0.643

Element Family

PostTransition-Noble

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0285

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5511

J/mol·K

Ω Parameter

0.9455

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.171%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3099

smaller = more stable mixing

VEC

4.786

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.356

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7419

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfocp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296243

Reference Citation

The crystal structure and related material properties of Sm2Ga9Ir2Pt were obtained from the Materials Project database (MP-ID: mp-3296243, 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_Sm2Ga9Ir2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57491803
_cell_length_b   7.57491853
_cell_length_c   9.49424542
_cell_angle_alpha   89.96138167
_cell_angle_beta   89.96138164
_cell_angle_gamma   119.86952057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Ga9Ir2Pt
_chemical_formula_sum   'Sm4 Ga18 Ir4 Pt2'
_cell_volume   472.40676223
_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  0.99733480  0.66791154  0.25036154  1.0
  Sm  Sm1  1  0.00266520  0.33208846  0.74963846  1.0
  Sm  Sm2  1  0.66791154  0.99733480  0.25036154  1.0
  Sm  Sm3  1  0.33208846  0.00266520  0.74963846  1.0
  Ga  Ga4  1  0.12860990  0.12860890  0.25041897  1.0
  Ga  Ga5  1  0.87139110  0.87139010  0.74958103  1.0
  Ga  Ga6  1  0.00225849  0.33121049  0.08051906  1.0
  Ga  Ga7  1  0.99774151  0.66878951  0.91948094  1.0
  Ga  Ga8  1  0.99995426  0.66614592  0.57667025  1.0
  Ga  Ga9  1  0.33385408  0.00004574  0.42332975  1.0
  Ga  Ga10  1  0.00004574  0.33385408  0.42332975  1.0
  Ga  Ga11  1  0.66614592  0.99995426  0.57667025  1.0
  Ga  Ga12  1  0.66878951  0.99774151  0.91948094  1.0
  Ga  Ga13  1  0.33121049  0.00225849  0.08051906  1.0
  Ga  Ga14  1  0.33257618  0.33257618  0.56236182  1.0
  Ga  Ga15  1  0.66742382  0.66742382  0.43763818  1.0
  Ga  Ga16  1  0.66849618  0.66849618  0.06988978  1.0
  Ga  Ga17  1  0.33150382  0.33150382  0.93011022  1.0
  Ga  Ga18  1  0.33972640  0.54282617  0.25304991  1.0
  Ga  Ga19  1  0.66027360  0.45717383  0.74695009  1.0
  Ga  Ga20  1  0.54282617  0.33972640  0.25304991  1.0
  Ga  Ga21  1  0.45717383  0.66027360  0.74695009  1.0
  Ir  Ir22  1  0.32926343  0.67073657  0.50000000  1.0
  Ir  Ir23  1  0.67073657  0.32926343  0.50000000  1.0
  Ir  Ir24  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir25  1  0.00000000  0.00000000  0.50000000  1.0
  Pt  Pt26  1  0.67041206  0.32958794  0.00000000  1.0
  Pt  Pt27  1  0.32958794  0.67041206  0.00000000  1.0

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