Dy13Er7(Bi2Pt)4

High-Entropy Materials HEA

MP-ID: mp-3292917 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy13Er7(Bi2Pt)4

MP-ID

mp-3292917

Elements

Sites

Density

10.6890

g/cm³

Volume

891.01

Å³

Cell a

8.0522

Cell b

8.9450

Cell c

12.3704

α Angle

90.02

β Angle

89.97

γ Angle

90.01

Space Group

Point Group

Crystal System

Triclinic

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
13.12	6.7501	1.5	(1,0,1)
13.12	6.7469	1.4	(1,0,-1)
14.32	6.1852	5.3	(0,0,2)
14.80	5.9849	3.7	(1,-1,0)
14.80	5.9843	3.4	(1,1,0)
18.08	4.9064	1.1	(1,0,2)
18.09	4.9039	1.2	(1,0,-2)
20.64	4.3024	1.2	(1,-1,2)
20.65	4.3011	1.2	(1,1,2)
20.65	4.3005	1.1	(1,1,-2)
20.66	4.2997	1.3	(1,-1,-2)
22.08	4.0261	17.9	(2,0,0)
23.23	3.8290	2.8	(2,0,1)
23.24	3.8279	2.8	(2,0,-1)
23.86	3.7289	5.0	(1,-2,1)
23.87	3.7280	5.0	(1,2,-1)
23.87	3.7279	4.9	(1,2,1)
23.87	3.7276	5.0	(1,-2,-1)
24.25	3.6710	19.9	(1,0,3)
24.26	3.6695	19.9	(1,0,-3)
24.56	3.6249	4.2	(0,2,-2)
24.57	3.6236	4.1	(0,2,2)
26.97	3.3059	6.1	(1,-2,2)
26.98	3.3049	6.0	(1,2,-2)

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Energy Properties

Formation Energy/atom

-0.96221

eV/atom

Energy/atom

-42.43754

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.4375

eV/atom

Volume/atom

27.84

Å³

c/a Ratio

1.5363

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9415

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004420

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.406

Element Family

Lanthanide

Solute Fraction

0.594

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3049

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8490

J/mol·K

Ω Parameter

25.0231

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.349%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4325

smaller = more stable mixing

VEC

9.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.636

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9413

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjer

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292917

Reference Citation

The crystal structure and related material properties of Dy13Er7(Bi2Pt)4 were obtained from the Materials Project database (MP-ID: mp-3292917, 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_Dy13Er7(Bi2Pt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05222348
_cell_length_b   8.94503782
_cell_length_c   12.37037968
_cell_angle_alpha   90.02127866
_cell_angle_beta   89.97045832
_cell_angle_gamma   90.00597409
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy13Er7(Bi2Pt)4
_chemical_formula_sum   'Dy13 Er7 Bi8 Pt4'
_cell_volume   891.00663951
_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  0.66394034  0.74995921  0.70793193  1.0
  Dy  Dy1  1  0.33594589  0.24991127  0.29167106  1.0
  Dy  Dy2  1  0.16414081  0.24970804  0.79184692  1.0
  Dy  Dy3  1  0.83570766  0.74988012  0.20847866  1.0
  Dy  Dy4  1  0.12728024  0.75050997  0.80438631  1.0
  Dy  Dy5  1  0.87372830  0.24941864  0.19582147  1.0
  Dy  Dy6  1  0.62678832  0.25017356  0.69531393  1.0
  Dy  Dy7  1  0.37339527  0.74969315  0.30425239  1.0
  Dy  Dy8  1  0.54979771  0.75081611  0.99978138  1.0
  Dy  Dy9  1  0.44851983  0.24940354  0.00041892  1.0
  Dy  Dy10  1  0.05134829  0.24992905  0.50042867  1.0
  Dy  Dy11  1  0.94901297  0.74993954  0.49965787  1.0
  Dy  Dy12  1  0.82143569  0.45487957  0.93370373  1.0
  Er  Er13  1  0.17625829  0.54565280  0.06629613  1.0
  Er  Er14  1  0.32404330  0.54554906  0.56614353  1.0
  Er  Er15  1  0.17586497  0.95398361  0.06660718  1.0
  Er  Er16  1  0.67619225  0.45429907  0.43364730  1.0
  Er  Er17  1  0.82373426  0.04599234  0.93383764  1.0
  Er  Er18  1  0.67621392  0.04557305  0.43374387  1.0
  Er  Er19  1  0.32412429  0.95431993  0.56611487  1.0
  Bi  Bi20  1  0.93339870  0.01010705  0.67275816  1.0
  Bi  Bi21  1  0.06682701  0.98961530  0.32757866  1.0
  Bi  Bi22  1  0.43370042  0.98999131  0.82695325  1.0
  Bi  Bi23  1  0.06669194  0.51001714  0.32731118  1.0
  Bi  Bi24  1  0.56674304  0.01009970  0.17288073  1.0
  Bi  Bi25  1  0.93380483  0.49002991  0.67261110  1.0
  Bi  Bi26  1  0.56702604  0.48970441  0.17234454  1.0
  Bi  Bi27  1  0.43249920  0.51027157  0.82720147  1.0
  Pt  Pt28  1  0.92492056  0.75118601  0.98904165  1.0
  Pt  Pt29  1  0.07659639  0.24949491  0.01157841  1.0
  Pt  Pt30  1  0.42464147  0.24999309  0.51104950  1.0
  Pt  Pt31  1  0.57567782  0.74989897  0.48860760  1.0

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