Dy5YAl7Pt16

高熵材料 HEA

MP-ID: mp-3293540 · Space group: I4mm (#107)

Materials Project API

Basic Information

Formula

Dy5YAl7Pt16

MP-ID

mp-3293540

Elements

Sites

Density

13.9681

g/cm³

Volume

500.68

Å³

Cell a

8.9130

Cell b

8.9130

Cell c

8.9132

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

I4mm

Point Group

4mm

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
12.16	7.2775	10.1	(1,0,0)
14.05	6.3026	8.4	(1,0,1)
14.05	6.3022	1.5	(1,1,0)
24.46	3.6387	25.1	(2,0,0)
28.32	3.1513	33.5	(2,0,2)
28.32	3.1511	16.2	(2,2,0)
31.75	2.8186	2.1	(2,-1,1)
31.75	2.8186	2.1	(2,1,3)
31.75	2.8186	7.0	(1,-1,2)
31.75	2.8185	1.2	(2,1,-1)
31.75	2.8185	3.6	(1,2,-1)
34.87	2.5730	10.9	(3,0,1)
34.87	2.5729	2.0	(1,1,-2)
34.87	2.5729	5.9	(3,1,0)
37.06	2.4259	49.1	(2,-1,2)
37.06	2.4258	48.8	(3,0,0)
37.06	2.4257	22.6	(2,2,-1)
40.48	2.2283	48.9	(2,-2,0)
40.48	2.2282	100.0	(2,0,-2)
42.42	2.1307	12.9	(2,-2,1)
42.42	2.1306	6.8	(1,-1,3)
42.42	2.1306	4.1	(1,4,2)
42.43	2.1306	7.2	(2,1,-2)
42.43	2.1306	7.2	(4,2,1)

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Energy Properties

Formation Energy/atom

-1.24478

eV/atom

Energy/atom

-37.49136

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.4914

eV/atom

Volume/atom

17.26

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4237

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000850

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.552

Element Family

5d-TM

Solute Fraction

0.448

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0904

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0656

J/mol·K

Ω Parameter

0.5007

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.855%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4423

smaller = more stable mixing

VEC

8.069

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.835

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7866

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkcq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293540

Reference Citation

The crystal structure and related material properties of Dy5YAl7Pt16 were obtained from the Materials Project database (MP-ID: mp-3293540, 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_Dy5YAl7Pt16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91294617
_cell_length_b   8.91294593
_cell_length_c   8.91321846
_cell_angle_alpha   59.99899580
_cell_angle_beta   59.99899668
_cell_angle_gamma   60.00202424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5YAl7Pt16
_chemical_formula_sum   'Dy5 Y1 Al7 Pt16'
_cell_volume   500.68221278
_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  0.28822556  0.71187154  0.28812846  1.0
  Dy  Dy1  1  0.71187154  0.28822556  0.28812846  1.0
  Dy  Dy2  1  0.28831818  0.28831818  0.71168182  1.0
  Dy  Dy3  1  0.71187154  0.28822556  0.71177444  1.0
  Dy  Dy4  1  0.28822556  0.71187154  0.71177444  1.0
  Y  Y5  1  0.71119275  0.71119275  0.28880725  1.0
  Al  Al6  1  0.99978962  0.99978962  0.00021038  1.0
  Al  Al7  1  0.99983342  0.99983342  0.50016658  1.0
  Al  Al8  1  0.50024919  0.99980497  0.49975081  1.0
  Al  Al9  1  0.99980497  0.50024919  0.49975081  1.0
  Al  Al10  1  0.49983342  0.49983342  0.00016658  1.0
  Al  Al11  1  0.99980497  0.50024919  0.00019503  1.0
  Al  Al12  1  0.50024919  0.99980497  0.00019503  1.0
  Pt  Pt13  1  0.88121292  0.88121292  0.35696441  1.0
  Pt  Pt14  1  0.88130075  0.35680415  0.88094855  1.0
  Pt  Pt15  1  0.35680415  0.88130075  0.88094855  1.0
  Pt  Pt16  1  0.88121292  0.88121292  0.88061074  1.0
  Pt  Pt17  1  0.11905145  0.11905145  0.64319585  1.0
  Pt  Pt18  1  0.11938926  0.64303559  0.11878708  1.0
  Pt  Pt19  1  0.64303559  0.11938926  0.11878708  1.0
  Pt  Pt20  1  0.11905145  0.11905145  0.11869925  1.0
  Pt  Pt21  1  0.66258331  0.66258331  0.01158716  1.0
  Pt  Pt22  1  0.66244488  0.01222479  0.66266567  1.0
  Pt  Pt23  1  0.01222479  0.66244488  0.66266567  1.0
  Pt  Pt24  1  0.66258331  0.66258331  0.66324822  1.0
  Pt  Pt25  1  0.33733433  0.33733433  0.98777521  1.0
  Pt  Pt26  1  0.33675178  0.98841284  0.33741669  1.0
  Pt  Pt27  1  0.98841284  0.33675178  0.33741669  1.0
  Pt  Pt28  1  0.33733433  0.33733433  0.33755512  1.0

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