Yb2HgPt2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3249839 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Yb2HgPt2

MP-ID

mp-3249839

Elements

Sites

Density

14.6679

g/cm³

Volume

106.06

Å³

Cell a

5.4607

Cell b

5.4703

Cell c

5.4690

α Angle

131.45

β Angle

115.51

γ Angle

84.56

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
21.98	4.0438	49.9	(1,1,-1)
22.60	3.9349	3.3	(0,1,0)
22.65	3.9263	3.2	(1,0,-1)
24.97	3.5665	2.8	(0,0,1)
25.04	3.5562	2.4	(1,-1,0)
30.66	2.9158	7.7	(1,-1,1)
33.47	2.6773	55.5	(1,1,0)
33.52	2.6734	55.8	(0,2,-1)
33.53	2.6723	54.5	(1,1,-2)
33.60	2.6676	56.1	(2,0,-1)
36.72	2.4473	25.4	(1,2,-2)
36.73	2.4468	24.8	(2,1,-1)
38.04	2.3654	26.1	(0,2,-2)
38.05	2.3648	26.2	(2,0,0)
38.38	2.3455	58.6	(1,0,1)
38.40	2.3440	59.1	(0,1,-2)
38.47	2.3399	58.4	(1,-2,1)
38.51	2.3378	57.8	(2,-1,0)
38.91	2.3149	26.1	(1,2,-1)
39.00	2.3097	26.0	(2,1,-2)
40.10	2.2487	100.0	(1,-1,-1)
44.83	2.0219	41.6	(2,2,-2)
46.14	1.9674	7.4	(0,2,0)
46.24	1.9631	7.4	(2,0,-2)

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Energy Properties

Formation Energy/atom

-1.07319

eV/atom

Energy/atom

-46.15359

eV/atom

Energy above Hull

0.0981

eV/atom

Uncorrected Energy

-46.1536

eV/atom

Volume/atom

21.21

Å³

c/a Ratio

1.0015

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

2.0034

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.448%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5421

smaller = more stable mixing

VEC

12.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.700

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.376

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.400

Related Tasks

Related computation task IDs (1)

aaahcxlv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249839

Reference Citation

The crystal structure and related material properties of Yb2HgPt2 were obtained from the Materials Project database (MP-ID: mp-3249839, 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_Yb2HgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46070665
_cell_length_b   5.47032565
_cell_length_c   5.46898313
_cell_angle_alpha   131.44865124
_cell_angle_beta   115.50674701
_cell_angle_gamma   84.55867792
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2HgPt2
_chemical_formula_sum   'Yb2 Hg1 Pt2'
_cell_volume   106.05889105
_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  0.29864181  0.79891524  0.49953222  1.0
  Yb  Yb1  1  0.70135819  0.20108476  0.50046778  1.0
  Hg  Hg2  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt3  1  0.72386363  0.50092255  0.22528404  1.0
  Pt  Pt4  1  0.27613637  0.49907745  0.77471596  1.0

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