DyY(H3Pt)2

High-Entropy Materials HEA

MP-ID: mp-3248374 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

DyY(H3Pt)2

MP-ID

mp-3248374

Elements

Sites

Density

10.4850

g/cm³

Volume

102.57

Å³

Cell a

6.0736

Cell b

6.0736

Cell c

4.6347

α Angle

90.00

β Angle

90.00

γ Angle

143.14

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
15.38	5.7621	37.1	(1,-1,0)
19.15	4.6347	2.8	(0,0,1)
24.43	3.6436	11.4	(1,0,0)
24.43	3.6436	11.4	(0,1,0)
24.65	3.6114	2.8	(1,-1,1)
31.04	2.8810	25.2	(2,-2,0)
31.23	2.8644	100.0	(1,0,1)
32.98	2.7160	11.3	(2,-1,0)
32.98	2.7160	11.3	(1,-2,0)
36.73	2.4468	47.8	(2,-2,1)
38.42	2.3433	56.1	(2,-1,1)
38.42	2.3433	56.1	(1,-2,1)
38.86	2.3174	41.2	(0,0,2)
42.02	2.1500	6.8	(1,-1,2)
45.92	1.9763	2.2	(3,-2,0)
45.92	1.9763	2.2	(2,-3,0)
46.44	1.9554	4.2	(1,0,2)
46.44	1.9554	4.2	(0,1,2)
47.33	1.9207	4.2	(3,-3,0)
47.34	1.9203	24.2	(1,1,0)
50.07	1.8218	2.0	(2,0,0)
50.07	1.8218	2.0	(0,2,0)
50.55	1.8057	12.9	(2,-2,2)
51.50	1.7744	10.4	(3,-3,1)

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Energy Properties

Formation Energy/atom

-0.69074

eV/atom

Energy/atom

-18.29090

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.2909

eV/atom

Volume/atom

10.26

Å³

c/a Ratio

0.7631

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

H · 0.600

Element Family

Alkali-AlkEarth

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0889

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0531

J/mol·K

Ω Parameter

1.1760

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

84.820%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4012

smaller = more stable mixing

VEC

3.900

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.885

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7855

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcvhm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248374

Reference Citation

The crystal structure and related material properties of DyY(H3Pt)2 were obtained from the Materials Project database (MP-ID: mp-3248374, 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_DyY(H3Pt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07362196
_cell_length_b   6.07362092
_cell_length_c   4.63471328
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   143.13667942
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyY(H3Pt)2
_chemical_formula_sum   'Dy1 Y1 H6 Pt2'
_cell_volume   102.56592070
_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
  Dy  Dy0  1  0.13696779  0.86303421  0.75000000  1.0
  Y  Y1  1  0.86253784  0.13746416  0.24999900  1.0
  H  H2  1  0.31276616  0.68723584  0.00904966  1.0
  H  H3  1  0.07426733  0.92573467  0.24999900  1.0
  H  H4  1  0.31276616  0.68723584  0.49094834  1.0
  H  H5  1  0.68695881  0.31304319  0.51037534  1.0
  H  H6  1  0.92615587  0.07384613  0.75000000  1.0
  H  H7  1  0.68695881  0.31304319  0.98962466  1.0
  Pt  Pt8  1  0.57595702  0.42404498  0.24999900  1.0
  Pt  Pt9  1  0.42467619  0.57532581  0.75000000  1.0

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