DyTm3(Si5Pt3)2

High-Entropy Materials HEA

MP-ID: mp-3296804 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

DyTm3(Si5Pt3)2

MP-ID

mp-3296804

Elements

Sites

Density

10.5040

g/cm³

Volume

335.25

Å³

Cell a

8.0829

Cell b

8.0797

Cell c

8.0797

α Angle

136.46

β Angle

103.83

γ Angle

92.07

Space Group

Point Group

Crystal System

Monoclinic

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
15.80	5.6104	5.6	(1,1,-1)
23.87	3.7274	7.0	(2,0,0)
23.88	3.7256	7.3	(0,2,-2)
24.54	3.6273	15.7	(2,-1,0)
24.55	3.6265	16.0	(1,-2,1)
25.43	3.5025	33.1	(2,1,-1)
25.44	3.5014	32.9	(1,2,-2)
28.00	3.1869	20.8	(2,-1,1)
28.00	3.1861	21.3	(1,-2,2)
29.81	2.9967	34.3	(1,-1,-1)
31.90	2.8052	27.1	(2,2,-2)
32.19	2.7805	29.5	(2,-1,-1)
32.20	2.7803	30.8	(1,0,-2)
33.47	2.6773	2.0	(3,0,-1)
33.48	2.6763	1.9	(0,3,-2)
33.91	2.6433	11.0	(2,0,-2)
34.76	2.5811	75.2	(3,-1,0)
34.77	2.5803	75.9	(1,-3,2)
34.93	2.5684	59.9	(2,-2,0)
36.03	2.4925	1.8	(2,-2,2)
36.15	2.4849	1.2	(3,0,0)
36.16	2.4838	1.0	(0,3,-3)
36.76	2.4452	25.7	(3,1,-1)
36.77	2.4442	24.9	(1,3,-3)

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Energy Properties

Formation Energy/atom

-1.00255

eV/atom

Energy/atom

-27.70299

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.7030

eV/atom

Volume/atom

16.76

Å³

c/a Ratio

0.9996

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

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

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1421

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.4956

J/mol·K

Ω Parameter

1.7220

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.319%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3599

smaller = more stable mixing

VEC

7.450

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.995

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8239

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoye

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296804

Reference Citation

The crystal structure and related material properties of DyTm3(Si5Pt3)2 were obtained from the Materials Project database (MP-ID: mp-3296804, 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_DyTm3(Si5Pt3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08292417
_cell_length_b   8.07967179
_cell_length_c   8.07967173
_cell_angle_alpha   136.45815006
_cell_angle_beta   103.82579852
_cell_angle_gamma   92.06580108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyTm3(Si5Pt3)2
_chemical_formula_sum   'Dy1 Tm3 Si10 Pt6'
_cell_volume   335.24891056
_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  0.90013064  0.12936713  0.77076251  1.0
  Tm  Tm1  1  0.64240247  0.37040320  0.27200027  1.0
  Tm  Tm2  1  0.35777754  0.62950257  0.72827398  1.0
  Tm  Tm3  1  0.09886461  0.87037972  0.22848489  1.0
  Si  Si4  1  0.27143780  0.52111312  0.24995022  1.0
  Si  Si5  1  0.72898740  0.47862301  0.74979038  1.0
  Si  Si6  1  0.72898740  0.97919802  0.25036439  1.0
  Si  Si7  1  0.27143780  0.02148758  0.75032468  1.0
  Si  Si8  1  0.46271929  0.11311267  0.34960562  1.0
  Si  Si9  1  0.53615926  0.88584531  0.65031395  1.0
  Si  Si10  1  0.76385795  0.61305894  0.15079901  1.0
  Si  Si11  1  0.23670759  0.38752333  0.84918526  1.0
  Si  Si12  1  0.99998939  0.24918034  0.24921121  1.0
  Si  Si13  1  0.99998939  0.75077718  0.75081005  1.0
  Pt  Pt14  1  0.25288397  0.13736352  0.11551945  1.0
  Pt  Pt15  1  0.74665566  0.86197909  0.88467657  1.0
  Pt  Pt16  1  0.02246932  0.63733686  0.38513247  1.0
  Pt  Pt17  1  0.97867188  0.36381590  0.61485699  1.0
  Pt  Pt18  1  0.49993332  0.25037861  0.75038241  1.0
  Pt  Pt19  1  0.49993332  0.74955190  0.24955571  1.0

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