Dy9Tm(Bi2Pt)2

High-Entropy Materials HEA

MP-ID: mp-3294286 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Dy9Tm(Bi2Pt)2

MP-ID

mp-3294286

Elements

Sites

Density

10.5793

g/cm³

Volume

897.04

Å³

Cell a

8.0773

Cell b

8.9402

Cell c

12.4222

α Angle

89.94

β Angle

90.14

γ Angle

89.96

Space Group

P-1

Point Group

-1

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
13.06	6.7793	1.4	(1,0,-1)
13.09	6.7640	1.0	(1,0,1)
14.26	6.2111	4.3	(0,0,2)
14.78	5.9955	4.1	(1,1,0)
14.79	5.9914	3.3	(1,-1,0)
18.04	4.9178	1.1	(1,0,2)
20.57	4.3176	1.1	(1,-1,-2)
20.58	4.3162	1.6	(1,1,-2)
20.60	4.3111	1.3	(1,1,2)
20.62	4.3067	1.2	(1,-1,2)
22.01	4.0387	18.8	(2,0,0)
23.14	3.8436	2.5	(2,0,-1)
23.18	3.8380	2.3	(2,0,1)
23.84	3.7319	5.1	(1,2,-1)
23.84	3.7318	5.1	(1,-2,-1)
23.85	3.7312	5.3	(1,2,1)
23.87	3.7274	5.2	(1,-2,1)
24.13	3.6885	20.5	(1,0,-3)
24.18	3.6811	20.4	(1,0,3)
24.52	3.6299	5.2	(0,2,2)
24.55	3.6264	5.0	(0,2,-2)
26.92	3.3120	6.8	(1,-2,-2)
26.93	3.3108	6.8	(1,2,-2)
26.94	3.3098	6.5	(1,2,2)

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Energy Properties

Formation Energy/atom

-0.96634

eV/atom

Energy/atom

-42.21270

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.2127

eV/atom

Volume/atom

28.03

Å³

c/a Ratio

1.5379

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9934

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004450

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.563

Element Family

Lanthanide

Solute Fraction

0.438

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1034

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1739

J/mol·K

Ω Parameter

20.8992

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.349%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4344

smaller = more stable mixing

VEC

8.938

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.636

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7960

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflfi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294286

Reference Citation

The crystal structure and related material properties of Dy9Tm(Bi2Pt)2 were obtained from the Materials Project database (MP-ID: mp-3294286, 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_Dy9Tm(Bi2Pt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07731904
_cell_length_b   8.94018919
_cell_length_c   12.42218235
_cell_angle_alpha   89.94243714
_cell_angle_beta   90.14193803
_cell_angle_gamma   89.96107688
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy9Tm(Bi2Pt)2
_chemical_formula_sum   'Dy18 Tm2 Bi8 Pt4'
_cell_volume   897.03666360
_cell_formula_units_Z   2
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  0.83489669  0.75000342  0.79090432  1.0
  Dy  Dy1  1  0.16510331  0.24999658  0.20909568  1.0
  Dy  Dy2  1  0.33572990  0.24964624  0.70845374  1.0
  Dy  Dy3  1  0.66427010  0.75035376  0.29154626  1.0
  Dy  Dy4  1  0.36864747  0.75177774  0.69379913  1.0
  Dy  Dy5  1  0.63135253  0.24822226  0.30620087  1.0
  Dy  Dy6  1  0.86890752  0.25068333  0.80514179  1.0
  Dy  Dy7  1  0.13109248  0.74931667  0.19485821  1.0
  Dy  Dy8  1  0.94859495  0.75199318  0.50094892  1.0
  Dy  Dy9  1  0.05140505  0.24800682  0.49905108  1.0
  Dy  Dy10  1  0.44946205  0.25021021  0.99975676  1.0
  Dy  Dy11  1  0.55053795  0.74978979  0.00024324  1.0
  Dy  Dy12  1  0.17713531  0.95359483  0.93229365  1.0
  Dy  Dy13  1  0.32303253  0.54616629  0.43284909  1.0
  Dy  Dy14  1  0.82286469  0.04640517  0.06770635  1.0
  Dy  Dy15  1  0.67696747  0.45383371  0.56715091  1.0
  Dy  Dy16  1  0.82295748  0.45332824  0.06783897  1.0
  Dy  Dy17  1  0.17704252  0.54667176  0.93216103  1.0
  Tm  Tm18  1  0.67317236  0.04777051  0.56760891  1.0
  Tm  Tm19  1  0.32682764  0.95222949  0.43239109  1.0
  Bi  Bi20  1  0.56367582  0.49172690  0.82625642  1.0
  Bi  Bi21  1  0.43632418  0.50827310  0.17374358  1.0
  Bi  Bi22  1  0.06425983  0.50848558  0.67260330  1.0
  Bi  Bi23  1  0.43558443  0.99098401  0.17330395  1.0
  Bi  Bi24  1  0.93574017  0.49151442  0.32739670  1.0
  Bi  Bi25  1  0.56441557  0.00901599  0.82669605  1.0
  Bi  Bi26  1  0.93829599  0.00777589  0.32631250  1.0
  Bi  Bi27  1  0.06170401  0.99222411  0.67368750  1.0
  Pt  Pt28  1  0.57693026  0.75257377  0.51112694  1.0
  Pt  Pt29  1  0.42306974  0.24742623  0.48887306  1.0
  Pt  Pt30  1  0.07699743  0.25010103  0.98892372  1.0
  Pt  Pt31  1  0.92300257  0.74989897  0.01107628  1.0

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