YbPPt

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9828 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

YbPPt

MP-ID

mp-9828

Elements

Sites

Density

12.1424

g/cm³

Volume

54.58

Å³

Cell a

4.0801

Cell b

4.0801

Cell c

3.7858

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 21)

2θ	d (Å)	I	hkl
23.50	3.7858	1.9	(0,0,0,1)
25.20	3.5335	38.6	(1,0,-1,0)
34.73	2.5831	50.0	(1,-1,0,1)
34.73	2.5831	100.0	(1,0,-1,1)
44.41	2.0400	59.2	(2,-1,-1,0)
48.07	1.8929	15.7	(0,0,0,2)
50.84	1.7959	1.3	(2,-1,-1,1)
51.74	1.7667	5.8	(2,0,-2,0)
55.04	1.6686	9.7	(1,0,-1,2)
57.57	1.6010	35.7	(2,0,-2,1)
67.50	1.3876	22.9	(2,-1,-1,2)
67.50	1.3876	11.4	(1,1,-2,2)
70.51	1.3355	1.6	(3,-2,-1,0)
70.51	1.3355	3.1	(3,-1,-2,0)
73.29	1.2916	4.2	(2,0,-2,2)
75.48	1.2595	21.6	(3,-1,-2,1)
75.48	1.2595	10.8	(2,1,-3,1)
80.89	1.1884	13.6	(1,0,-1,3)
81.77	1.1778	3.4	(3,-3,0,0)
81.77	1.1778	6.8	(3,0,-3,0)
89.89	1.0913	5.2	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

-1.48135

eV/atom

Energy/atom

-33.82107

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.8211

eV/atom

Volume/atom

18.19

Å³

c/a Ratio

0.9279

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

K_VRH

94.698

GPa

G_VRH

32.243

GPa

Young's Modulus E

86.870

GPa

Poisson Ratio ν

0.347

Pugh Ratio K/G

2.937

Vickers Hardness Est.

1.325

GPa

Ductility

Brittle

Anisotropy

0.873

Lame λ

73.203

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.333

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

2.1218

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.812%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5363

smaller = more stable mixing

VEC

9.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.958

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.8730

Homogeneous Poisson ν

0.3470

Debye Temperature

250.5

Sound Velocity

1,831.4

m/s

Homogeneity

0.3470

Related Tasks

Related computation task IDs (5)

aaadmjep aaadqxng aaaeuksh aaafsbqe aaahbabl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9828

Reference Citation

The crystal structure and related material properties of YbPPt were obtained from the Materials Project database (MP-ID: mp-9828, 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_YbPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08007470
_cell_length_b   4.08007470
_cell_length_c   3.78579200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000681
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbPPt
_chemical_formula_sum   'Yb1 P1 Pt1'
_cell_volume   54.57874947
_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  0.00000000  0.00000000  0.00000000  1.0
  P  P1  1  0.66666700  0.33333300  0.50000000  1.0
  Pt  Pt2  1  0.33333300  0.66666700  0.50000000  1.0

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