Sm4Ga10Pt5Rh

High-Entropy Materials HEA

MP-ID: mp-3296466 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Sm4Ga10Pt5Rh

MP-ID

mp-3296466

Elements

Sites

Density

10.6584

g/cm³

Volume

370.33

Å³

Cell a

8.5608

Cell b

8.5608

Cell c

5.7791

α Angle

70.90

β Angle

70.90

γ Angle

94.23

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
11.17	7.9215	4.0	(1,0,0)
16.89	5.2484	1.5	(1,0,1)
17.36	5.1077	6.6	(1,1,0)
22.45	3.9608	3.6	(2,0,0)
22.56	3.9416	2.2	(1,-1,1)
22.76	3.9064	1.6	(2,0,1)
22.98	3.8702	33.9	(2,-1,0)
24.12	3.6893	10.9	(1,0,-1)
24.51	3.6322	7.9	(2,1,1)
27.13	3.2863	7.8	(2,1,0)
28.46	3.1364	25.4	(2,-2,0)
30.95	2.8891	22.7	(1,1,2)
32.86	2.7260	10.0	(1,0,2)
33.15	2.7027	15.8	(2,1,2)
33.51	2.6740	67.7	(2,0,-1)
33.53	2.6727	51.6	(3,-1,0)
33.75	2.6559	1.2	(3,-1,1)
33.94	2.6412	34.7	(1,3,1)
33.94	2.6412	34.7	(3,1,1)
33.95	2.6405	8.3	(3,0,0)
34.17	2.6242	5.2	(2,0,2)
35.14	2.5539	3.2	(2,2,0)
35.43	2.5335	33.5	(0,0,2)
35.98	2.4964	24.1	(2,2,2)

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Energy Properties

Formation Energy/atom

-1.00297

eV/atom

Energy/atom

-26.74968

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.7497

eV/atom

Volume/atom

18.52

Å³

c/a Ratio

0.6751

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

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 · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1648

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6843

J/mol·K

Ω Parameter

0.7940

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.429%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3847

smaller = more stable mixing

VEC

5.650

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.716

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8402

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfole

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296466

Reference Citation

The crystal structure and related material properties of Sm4Ga10Pt5Rh were obtained from the Materials Project database (MP-ID: mp-3296466, 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_Sm4Ga10Pt5Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56078715
_cell_length_b   8.56078739
_cell_length_c   5.77912750
_cell_angle_alpha   70.89658961
_cell_angle_beta   70.89658799
_cell_angle_gamma   94.23315126
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4Ga10Pt5Rh
_chemical_formula_sum   'Sm4 Ga10 Pt5 Rh1'
_cell_volume   370.32643158
_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  0.86271509  0.59000853  0.76899210  1.0
  Sm  Sm1  1  0.40999147  0.13728491  0.73100790  1.0
  Sm  Sm2  1  0.13716477  0.40999651  0.23315982  1.0
  Sm  Sm3  1  0.59000349  0.86283523  0.26684018  1.0
  Ga  Ga4  1  0.06463992  0.25924622  0.84469382  1.0
  Ga  Ga5  1  0.74075378  0.93536008  0.65530618  1.0
  Ga  Ga6  1  0.93531884  0.74087839  0.16575167  1.0
  Ga  Ga7  1  0.25912161  0.06468116  0.33424833  1.0
  Ga  Ga8  1  0.21021588  0.78978412  0.75000000  1.0
  Ga  Ga9  1  0.79119866  0.20880134  0.25000000  1.0
  Ga  Ga10  1  0.50262154  0.49737846  0.75000000  1.0
  Ga  Ga11  1  0.49756793  0.50243207  0.25000000  1.0
  Ga  Ga12  1  0.78556223  0.21443777  0.75000000  1.0
  Ga  Ga13  1  0.21289160  0.78710840  0.25000000  1.0
  Pt  Pt14  1  0.25276551  0.54095599  0.61074906  1.0
  Pt  Pt15  1  0.45904401  0.74723449  0.88925094  1.0
  Pt  Pt16  1  0.74741973  0.45879264  0.38704802  1.0
  Pt  Pt17  1  0.54120736  0.25258027  0.11295198  1.0
  Pt  Pt18  1  0.00083043  0.99916957  0.75000000  1.0
  Rh  Rh19  1  0.99896614  0.00103386  0.25000000  1.0

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