Yb2(Ga3Pt)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293531 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Yb2(Ga3Pt)3

MP-ID

mp-3293531

Elements

Sites

Density

11.1337

g/cm³

Volume

464.99

Å³

Cell a

7.5630

Cell b

7.5629

Cell c

9.3847

α Angle

90.00

β Angle

90.00

γ Angle

119.98

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
13.52	6.5513	1.1	(1,0,-1,0)
13.52	6.5513	1.1	(0,1,-1,0)
13.52	6.5489	3.9	(1,-1,0,0)
16.50	5.3719	2.8	(1,0,-1,1)
16.50	5.3719	2.8	(0,1,-1,1)
18.91	4.6924	24.7	(0,0,0,2)
23.32	3.8143	1.1	(1,-1,0,2)
23.52	3.7829	19.9	(1,1,-2,0)
23.53	3.7815	19.4	(2,-1,-1,0)
23.53	3.7815	19.4	(1,-2,1,0)
25.39	3.5086	7.8	(1,1,-2,1)
25.39	3.5075	8.4	(2,-1,-1,1)
25.39	3.5074	8.4	(1,-2,1,1)
27.22	3.2757	1.5	(2,0,-2,0)
27.22	3.2756	1.5	(0,2,-2,0)
27.23	3.2745	6.6	(2,-2,0,0)
28.87	3.0927	9.8	(2,0,-2,1)
28.87	3.0927	9.8	(0,2,-2,1)
30.35	2.9450	71.8	(1,1,-2,2)
30.36	2.9444	73.4	(2,-1,-1,2)
30.36	2.9444	73.4	(1,-2,1,2)
33.36	2.6859	3.4	(2,0,-2,2)
33.36	2.6859	3.4	(0,2,-2,2)
33.37	2.6853	14.5	(2,-2,0,2)

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Energy Properties

Formation Energy/atom

-0.68411

eV/atom

Energy/atom

-24.29175

eV/atom

Energy above Hull

0.0653

eV/atom

Uncorrected Energy

-24.2918

eV/atom

Volume/atom

16.61

Å³

c/a Ratio

1.2409

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0154

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

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

0.8921

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4171

J/mol·K

Ω Parameter

0.4907

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.706%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3455

smaller = more stable mixing

VEC

6.071

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.923

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8120

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.533

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.643

Related Tasks

Related computation task IDs (1)

aaahfkch

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293531

Reference Citation

The crystal structure and related material properties of Yb2(Ga3Pt)3 were obtained from the Materials Project database (MP-ID: mp-3293531, 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…

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Raw CIF Data

# generated using pymatgen
data_Yb2(Ga3Pt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56296500
_cell_length_b   7.56290851
_cell_length_c   9.38472760
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97564422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2(Ga3Pt)3
_chemical_formula_sum   'Yb4 Ga18 Pt6'
_cell_volume   464.98589009
_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
  Yb  Yb0  1  0.99905190  0.66774363  0.25000000  1.0
  Yb  Yb1  1  0.00094810  0.33225637  0.75000000  1.0
  Yb  Yb2  1  0.66774185  0.99904004  0.25000000  1.0
  Yb  Yb3  1  0.33225815  0.00095996  0.75000000  1.0
  Ga  Ga4  1  0.12885763  0.12885249  0.25000000  1.0
  Ga  Ga5  1  0.87114237  0.87114751  0.75000000  1.0
  Ga  Ga6  1  0.99674739  0.33363415  0.08258524  1.0
  Ga  Ga7  1  0.00325261  0.66636585  0.91741476  1.0
  Ga  Ga8  1  0.00325261  0.66636585  0.58258524  1.0
  Ga  Ga9  1  0.33366743  0.99678543  0.41741943  1.0
  Ga  Ga10  1  0.99674739  0.33363415  0.41741476  1.0
  Ga  Ga11  1  0.66633257  0.00321457  0.58258057  1.0
  Ga  Ga12  1  0.66633257  0.00321457  0.91741943  1.0
  Ga  Ga13  1  0.33366743  0.99678543  0.08258057  1.0
  Ga  Ga14  1  0.32965085  0.32966758  0.57692141  1.0
  Ga  Ga15  1  0.67034915  0.67033242  0.42307859  1.0
  Ga  Ga16  1  0.67034915  0.67033242  0.07692141  1.0
  Ga  Ga17  1  0.32965085  0.32966758  0.92307859  1.0
  Ga  Ga18  1  0.33716163  0.54182458  0.25000000  1.0
  Ga  Ga19  1  0.66283837  0.45817542  0.75000000  1.0
  Ga  Ga20  1  0.54186718  0.33715544  0.25000000  1.0
  Ga  Ga21  1  0.45813282  0.66284456  0.75000000  1.0
  Pt  Pt22  1  0.66933821  0.33065744  0.00000891  1.0
  Pt  Pt23  1  0.33066179  0.66934256  0.99999109  1.0
  Pt  Pt24  1  0.33066179  0.66934256  0.50000891  1.0
  Pt  Pt25  1  0.66933821  0.33065744  0.49999109  1.0
  Pt  Pt26  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt27  1  0.00000000  0.00000000  0.50000000  1.0

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