Dy17Er3(Ir5Pt)2

高熵材料 HEA

MP-ID: mp-3295322 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy17Er3(Ir5Pt)2

MP-ID

mp-3295322

Elements

Sites

Density

12.4041

g/cm³

Volume

746.54

Å³

Cell a

10.8536

Cell b

10.8475

Cell c

6.3409

α Angle

90.01

β Angle

90.03

γ Angle

90.00

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

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
11.53	7.6725	6.2	(1,-1,0)
11.53	7.6725	6.3	(1,1,0)
16.33	5.4268	13.3	(2,0,0)
16.34	5.4238	13.3	(0,2,0)
23.07	3.8551	19.9	(2,1,-1)
23.07	3.8549	19.7	(2,-1,-1)
23.08	3.8539	18.8	(1,2,-1)
23.08	3.8535	18.9	(1,-2,-1)
23.08	3.8531	17.8	(2,-1,1)
23.08	3.8529	18.0	(2,1,1)
23.08	3.8529	18.8	(1,-2,1)
23.09	3.8525	18.7	(1,2,1)
23.19	3.8363	15.4	(2,-2,0)
23.19	3.8362	15.4	(2,2,0)
28.15	3.1705	11.3	(0,0,2)
29.34	3.0438	9.9	(1,0,-2)
29.35	3.0432	10.9	(0,1,-2)
29.35	3.0431	10.9	(0,1,2)
29.35	3.0428	11.9	(1,0,2)
29.59	3.0190	42.5	(3,1,-1)
29.59	3.0189	42.6	(3,-1,-1)
29.60	3.0176	33.7	(3,-1,1)
29.60	3.0176	39.5	(1,3,-1)
29.60	3.0175	33.5	(3,1,1)

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Energy Properties

Formation Energy/atom

-0.97213

eV/atom

Energy/atom

-40.72325

eV/atom

Energy above Hull

0.0005

eV/atom

Uncorrected Energy

-40.7233

eV/atom

Volume/atom

23.33

Å³

c/a Ratio

0.5842

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.6211

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000830

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.531

Element Family

Lanthanide

Solute Fraction

0.469

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0947

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1015

J/mol·K

Ω Parameter

9.5293

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.616%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4798

smaller = more stable mixing

VEC

9.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.953

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmte

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295322

Reference Citation

The crystal structure and related material properties of Dy17Er3(Ir5Pt)2 were obtained from the Materials Project database (MP-ID: mp-3295322, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Dy17Er3(Ir5Pt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85358265
_cell_length_b   10.84750514
_cell_length_c   6.34092755
_cell_angle_alpha   90.00689242
_cell_angle_beta   90.03313553
_cell_angle_gamma   90.00043962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy17Er3(Ir5Pt)2
_chemical_formula_sum   'Dy17 Er3 Ir10 Pt2'
_cell_volume   746.54449533
_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  0.29101573  0.08822186  0.38181127  1.0
  Dy  Dy1  1  0.29079576  0.91213918  0.88178469  1.0
  Dy  Dy2  1  0.70341664  0.08999832  0.88064622  1.0
  Dy  Dy3  1  0.70317766  0.90950215  0.38045587  1.0
  Dy  Dy4  1  0.58359711  0.79072409  0.88484521  1.0
  Dy  Dy5  1  0.58402005  0.20923129  0.38476431  1.0
  Dy  Dy6  1  0.40984268  0.79106757  0.38380966  1.0
  Dy  Dy7  1  0.41008894  0.20893049  0.88383724  1.0
  Dy  Dy8  1  0.21003600  0.41153704  0.61534399  1.0
  Dy  Dy9  1  0.21006958  0.58820400  0.11535241  1.0
  Dy  Dy10  1  0.79191131  0.41482503  0.11613935  1.0
  Dy  Dy11  1  0.79192873  0.58555697  0.61623058  1.0
  Dy  Dy12  1  0.91474145  0.70681060  0.12053407  1.0
  Dy  Dy13  1  0.91423479  0.29342568  0.62059010  1.0
  Dy  Dy14  1  0.09233439  0.70590607  0.61695262  1.0
  Dy  Dy15  1  0.09199776  0.29383163  0.11688856  1.0
  Dy  Dy16  1  0.00209164  0.99838724  0.49998855  1.0
  Er  Er17  1  0.00229038  0.00154137  0.99997464  1.0
  Er  Er18  1  0.50092938  0.49908243  0.00016483  1.0
  Er  Er19  1  0.50094681  0.50092774  0.50017681  1.0
  Ir  Ir20  1  0.15139080  0.15290543  0.75019966  1.0
  Ir  Ir21  1  0.15099096  0.84675020  0.24802783  1.0
  Ir  Ir22  1  0.65437731  0.34736291  0.74926194  1.0
  Ir  Ir23  1  0.65409548  0.65284021  0.24952170  1.0
  Ir  Ir24  1  0.34878260  0.34747983  0.25059200  1.0
  Ir  Ir25  1  0.34849239  0.65228961  0.75032843  1.0
  Ir  Ir26  1  0.49949244  0.99993809  0.12875394  1.0
  Ir  Ir27  1  0.49950566  0.00004924  0.62862959  1.0
  Ir  Ir28  1  0.00075217  0.49998951  0.87125178  1.0
  Ir  Ir29  1  0.00073490  0.49998877  0.37132942  1.0
  Pt  Pt30  1  0.84633368  0.15217088  0.24923931  1.0
  Pt  Pt31  1  0.84558483  0.84838460  0.75257043  1.0

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