Yb2CuPt2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3249239 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Yb2CuPt2

MP-ID

mp-3249239

Elements

Sites

Density

13.8474

g/cm³

Volume

95.91

Å³

Cell a

5.3908

Cell b

5.3908

Cell c

5.3908

α Angle

134.14

β Angle

118.12

γ Angle

80.34

Space Group

Immm

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
19.30	4.5991	3.9	(1,0,0)
21.57	4.1192	13.1	(1,1,-1)
23.78	3.7421	13.2	(0,1,0)
23.78	3.7421	13.2	(1,0,-1)
26.63	3.3478	29.9	(0,0,1)
34.52	2.5980	65.7	(1,1,0)
36.52	2.4607	11.5	(2,1,-1)
36.52	2.4607	11.5	(1,2,-2)
39.18	2.2995	59.8	(2,0,0)
39.19	2.2985	62.4	(1,2,-1)
40.50	2.2272	100.0	(1,0,1)
43.07	2.1002	42.5	(1,-1,-1)
43.96	2.0596	18.9	(2,2,-2)
48.66	1.8710	3.1	(0,2,0)
51.66	1.7693	1.1	(2,1,0)
51.66	1.7693	3.3	(3,0,-1)
54.23	1.6913	8.1	(1,-1,2)
55.59	1.6531	1.6	(3,1,-1)
55.59	1.6531	1.6	(1,3,-3)
57.71	1.5975	12.1	(1,2,0)
58.43	1.5794	2.4	(3,2,-2)
58.43	1.5794	2.4	(2,3,-3)
59.04	1.5646	7.8	(2,0,1)
59.62	1.5508	36.0	(1,1,1)

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Energy Properties

Formation Energy/atom

-1.10348

eV/atom

Energy/atom

-38.47968

eV/atom

Energy above Hull

0.0678

eV/atom

Uncorrected Energy

-38.4797

eV/atom

Volume/atom

19.18

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Yb · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

2.3248

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.124%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5344

smaller = more stable mixing

VEC

11.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.760

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.423

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.400

Related Tasks

Related computation task IDs (1)

aaahcwot

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249239

Reference Citation

The crystal structure and related material properties of Yb2CuPt2 were obtained from the Materials Project database (MP-ID: mp-3249239, 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_Yb2CuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39074896
_cell_length_b   5.39074869
_cell_length_c   5.39074849
_cell_angle_alpha   134.14192575
_cell_angle_beta   118.11979943
_cell_angle_gamma   80.34269414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2CuPt2
_chemical_formula_sum   'Yb2 Cu1 Pt2'
_cell_volume   95.90903836
_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
  Yb  Yb0  1  0.69839338  0.19839338  0.50000000  1.0
  Yb  Yb1  1  0.30160562  0.80160662  0.50000100  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt3  1  0.74063957  0.50000000  0.24063957  1.0
  Pt  Pt4  1  0.25936043  0.50000100  0.75936143  1.0

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