Sm4Ga18(CoPt)3

High-Entropy Materials HEA

MP-ID: mp-3292322 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Sm4Ga18(CoPt)3

MP-ID

mp-3292322

Elements

Sites

Density

9.4667

g/cm³

Volume

459.31

Å³

Cell a

7.4804

Cell b

7.4804

Cell c

9.4542

α Angle

89.89

β Angle

89.89

γ Angle

119.75

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
9.35	9.4542	4.1	(0,0,0,1)
16.53	5.3615	13.6	(1,0,-1,1)
16.59	5.3449	8.2	(1,0,-1,-1)
16.60	5.3394	8.8	(1,-1,0,1)
18.77	4.7271	6.4	(0,0,0,2)
23.70	3.7544	2.4	(1,1,-2,0)
23.79	3.7402	4.8	(2,-1,-1,0)
25.49	3.4940	5.4	(1,1,-2,1)
25.60	3.4802	1.5	(2,-1,-1,1)
25.63	3.4756	11.4	(2,-1,-1,-1)
27.47	3.2473	1.1	(0,2,-2,0)
27.47	3.2473	1.1	(2,0,-2,0)
27.57	3.2350	5.0	(2,-2,0,0)
29.05	3.0743	5.2	(2,0,-2,1)
29.11	3.0681	16.7	(2,0,-2,-1)
29.18	3.0608	5.6	(2,-2,0,1)
30.35	2.9455	8.2	(1,1,-2,2)
30.45	2.9358	18.4	(2,-1,-1,2)
30.46	2.9345	8.4	(1,1,-2,-2)
30.51	2.9304	14.9	(2,-1,-1,-2)
31.51	2.8390	2.8	(1,0,-1,3)
31.58	2.8332	4.0	(1,-1,0,3)
31.60	2.8315	5.1	(1,0,-1,-3)
33.43	2.6808	1.9	(2,0,-2,2)

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Energy Properties

Formation Energy/atom

-0.63770

eV/atom

Energy/atom

-19.17582

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.1758

eV/atom

Volume/atom

16.40

Å³

c/a Ratio

1.2639

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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

1.0406

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6520

J/mol·K

Ω Parameter

1.0470

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.786%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2856

smaller = more stable mixing

VEC

4.821

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.570

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7507

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfihu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292322

Reference Citation

The crystal structure and related material properties of Sm4Ga18(CoPt)3 were obtained from the Materials Project database (MP-ID: mp-3292322, 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_Sm4Ga18(CoPt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48044412
_cell_length_b   7.48044476
_cell_length_c   9.45422877
_cell_angle_alpha   89.88928810
_cell_angle_beta   89.88928867
_cell_angle_gamma   119.74814223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4Ga18(CoPt)3
_chemical_formula_sum   'Sm4 Ga18 Co3 Pt3'
_cell_volume   459.30897108
_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  0.50297701  0.83102372  0.25026164  1.0
  Sm  Sm1  1  0.49589486  0.16834465  0.75121899  1.0
  Sm  Sm2  1  0.16897628  0.49702299  0.74973836  1.0
  Sm  Sm3  1  0.83165535  0.50410514  0.24878101  1.0
  Ga  Ga4  1  0.16160807  0.95502781  0.24051624  1.0
  Ga  Ga5  1  0.83761066  0.04508159  0.74401324  1.0
  Ga  Ga6  1  0.04497219  0.83839193  0.75948376  1.0
  Ga  Ga7  1  0.95491841  0.16238934  0.25598676  1.0
  Ga  Ga8  1  0.62774197  0.62852751  0.75893359  1.0
  Ga  Ga9  1  0.37147249  0.37225803  0.24106641  1.0
  Ga  Ga10  1  0.15556046  0.16303467  0.56576739  1.0
  Ga  Ga11  1  0.83202421  0.82587386  0.05980344  1.0
  Ga  Ga12  1  0.83696533  0.84443954  0.43423261  1.0
  Ga  Ga13  1  0.17412614  0.16797579  0.94019656  1.0
  Ga  Ga14  1  0.51407044  0.84445504  0.57670437  1.0
  Ga  Ga15  1  0.48958409  0.16573721  0.07239579  1.0
  Ga  Ga16  1  0.15554496  0.48592956  0.42329563  1.0
  Ga  Ga17  1  0.83426279  0.51041591  0.92760421  1.0
  Ga  Ga18  1  0.51089824  0.16599925  0.42301805  1.0
  Ga  Ga19  1  0.48942453  0.82529906  0.92800552  1.0
  Ga  Ga20  1  0.83400075  0.48910176  0.57698195  1.0
  Ga  Ga21  1  0.17470094  0.51057547  0.07199448  1.0
  Co  Co22  1  0.49948543  0.50051457  0.00000000  1.0
  Co  Co23  1  0.83127792  0.16872208  0.50000000  1.0
  Co  Co24  1  0.16928699  0.83071301  0.00000000  1.0
  Pt  Pt25  1  0.50074757  0.49925243  0.50000000  1.0
  Pt  Pt26  1  0.17107100  0.82892900  0.50000000  1.0
  Pt  Pt27  1  0.82913892  0.17086108  0.00000000  1.0

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