Dy2Sn2PtRh

高熵材料 HEA

MP-ID: mp-3296139 · Space group: P-6 (#174)

Materials Project API

Basic Information

Formula

Dy2Sn2PtRh

MP-ID

mp-3296139

Elements

Sites

Density

11.2593

g/cm³

Volume

380.68

Å³

Cell a

7.5519

Cell b

7.5519

Cell c

7.7076

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6

Point Group

-6

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 24)

2θ	d (Å)	I	hkl
13.54	6.5402	4.0	(1,0,-1,0)
17.79	4.9868	1.5	(1,0,-1,1)
23.08	3.8538	1.3	(0,0,0,2)
23.56	3.7760	4.8	(2,-1,-1,0)
26.85	3.3202	2.3	(1,0,-1,2)
27.27	3.2701	2.1	(2,0,-2,0)
33.22	2.6971	100.0	(2,-1,-1,2)
36.02	2.4934	56.0	(2,-2,0,2)
36.02	2.4934	28.0	(2,0,-2,2)
36.34	2.4720	44.0	(3,-1,-2,0)
41.42	2.1801	14.7	(3,-3,0,0)
41.42	2.1801	29.3	(3,0,-3,0)
43.49	2.0807	26.5	(3,-1,-2,2)
47.17	1.9269	24.2	(0,0,0,4)
47.94	1.8975	2.3	(3,0,-3,2)
48.20	1.8880	1.7	(2,-4,2,0)
48.20	1.8880	3.3	(4,-2,-2,0)
50.30	1.8139	10.2	(4,-1,-3,0)
50.30	1.8139	1.8	(3,1,-4,0)
54.09	1.6955	4.1	(4,-2,-2,2)
56.03	1.6412	12.1	(4,-1,-3,2)
60.97	1.5197	9.5	(3,-2,-1,4)
60.97	1.5197	10.7	(3,-1,-2,4)
61.62	1.5052	1.2	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

-1.11512

eV/atom

Energy/atom

-32.62844

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.6284

eV/atom

Volume/atom

21.15

Å³

c/a Ratio

1.0206

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0025

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

4.9399

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.341%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4439

smaller = more stable mixing

VEC

7.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.226

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnyp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296139

Reference Citation

The crystal structure and related material properties of Dy2Sn2PtRh were obtained from the Materials Project database (MP-ID: mp-3296139, 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_Dy2Sn2PtRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55193185
_cell_length_b   7.55193218
_cell_length_c   7.70757507
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Sn2PtRh
_chemical_formula_sum   'Dy6 Sn6 Pt3 Rh3'
_cell_volume   380.68391388
_cell_formula_units_Z   3
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  0.40611943  0.00278101  0.24756262  1.0
  Dy  Dy1  1  0.59666058  0.59388057  0.24756262  1.0
  Dy  Dy2  1  0.99721899  0.40333942  0.24756262  1.0
  Dy  Dy3  1  0.40628461  0.00296299  0.75243082  1.0
  Dy  Dy4  1  0.59667838  0.59371539  0.75243082  1.0
  Dy  Dy5  1  0.99703701  0.40332162  0.75243082  1.0
  Sn  Sn6  1  0.26135270  0.25686477  0.00001302  1.0
  Sn  Sn7  1  0.99551107  0.73864730  0.00001302  1.0
  Sn  Sn8  1  0.00154210  0.74341269  0.50000971  1.0
  Sn  Sn9  1  0.74187060  0.99845790  0.50000971  1.0
  Sn  Sn10  1  0.25658731  0.25812940  0.50000971  1.0
  Sn  Sn11  1  0.74313523  0.00448893  0.00001302  1.0
  Pt  Pt12  1  0.33333300  0.66666700  0.50009501  1.0
  Pt  Pt13  1  0.33333300  0.66666700  0.99990275  1.0
  Pt  Pt14  1  0.66666700  0.33333300  0.49967988  1.0
  Rh  Rh15  1  0.00000000  0.00000000  0.75020369  1.0
  Rh  Rh16  1  0.00000000  0.00000000  0.24982482  1.0
  Rh  Rh17  1  0.66666700  0.33333300  0.00024435  1.0

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