Y(Zn2Pt)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294464 · Space group: P4_2/mnm (#136)

Materials Project API

Basic Information

Formula

Y(Zn2Pt)2

MP-ID

mp-3294464

Elements

Sites

Density

10.4851

g/cm³

Volume

234.61

Å³

Cell a

7.4364

Cell b

7.4364

Cell c

4.2425

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4_2/mnm

Point Group

4/mmm

Crystal System

Tetragonal

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
16.86	5.2583	1.5	(1,1,0)
23.93	3.7182	38.8	(2,0,0)
26.81	3.3257	18.1	(2,1,0)
27.00	3.3019	52.0	(1,1,1)
34.10	2.6292	38.7	(2,2,0)
34.26	2.6174	53.7	(2,1,1)
38.27	2.3516	11.4	(3,1,0)
40.36	2.2348	37.9	(2,2,1)
42.22	2.1403	17.2	(3,0,1)
42.62	2.1213	42.0	(0,0,2)
44.03	2.0568	100.0	(3,1,1)
49.12	1.8549	12.3	(3,2,1)
49.47	1.8425	11.7	(2,0,2)
50.61	1.8036	28.3	(4,1,0)
51.07	1.7884	6.4	(2,1,2)
52.19	1.7528	2.1	(3,3,0)
55.24	1.6628	2.7	(4,2,0)
55.35	1.6598	1.2	(4,1,1)
55.67	1.6509	19.3	(2,2,2)
56.83	1.6200	2.2	(3,3,1)
58.61	1.5751	6.1	(3,1,2)
59.73	1.5482	2.8	(4,2,1)
62.44	1.4873	1.8	(5,0,0)
63.82	1.4584	6.2	(5,1,0)

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Energy Properties

Formation Energy/atom

-0.71762

eV/atom

Energy/atom

-23.42211

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.4221

eV/atom

Volume/atom

16.76

Å³

c/a Ratio

0.5705

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0024

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.571

Element Family

3d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.2773

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.033%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3546

smaller = more stable mixing

VEC

10.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-35.417

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.727

Family

Zn-based Alloy

Matrix Element

Zn · 0.571

Related Tasks

Related computation task IDs (1)

aaahflme

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294464

Reference Citation

The crystal structure and related material properties of Y(Zn2Pt)2 were obtained from the Materials Project database (MP-ID: mp-3294464, 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_Y(Zn2Pt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43641266
_cell_length_b   7.43641266
_cell_length_c   4.24253945
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(Zn2Pt)2
_chemical_formula_sum   'Y2 Zn8 Pt4'
_cell_volume   234.61342067
_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
  Y  Y0  1  0.50000000  0.50000000  0.50000000  1.0
  Y  Y1  1  0.00000000  0.00000000  0.00000000  1.0
  Zn  Zn2  1  0.35484607  0.09922381  0.50000000  1.0
  Zn  Zn3  1  0.64515393  0.90077619  0.50000000  1.0
  Zn  Zn4  1  0.85484607  0.40077619  0.00000000  1.0
  Zn  Zn5  1  0.14515393  0.59922381  0.00000000  1.0
  Zn  Zn6  1  0.09922381  0.35484607  0.50000000  1.0
  Zn  Zn7  1  0.90077619  0.64515393  0.50000000  1.0
  Zn  Zn8  1  0.40077619  0.85484607  0.00000000  1.0
  Zn  Zn9  1  0.59922381  0.14515393  0.00000000  1.0
  Pt  Pt10  1  0.78558887  0.21441113  0.50000000  1.0
  Pt  Pt11  1  0.21441113  0.78558887  0.50000000  1.0
  Pt  Pt12  1  0.28558887  0.28558887  0.00000000  1.0
  Pt  Pt13  1  0.71441113  0.71441113  0.00000000  1.0

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