Dy2Mg2IrPt

高熵材料 HEA

MP-ID: mp-3293936 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

Dy2Mg2IrPt

MP-ID

mp-3293936

Elements

Sites

Density

10.1970

g/cm³

Volume

247.82

Å³

Cell a

4.1441

Cell b

7.0251

Cell c

8.5145

α Angle

88.79

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/m

Point Group

2/m

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
16.19	5.4748	17.2	(0,1,1)
16.53	5.3620	10.2	(0,1,-1)
20.87	4.2563	16.2	(0,0,2)
24.22	3.6747	44.2	(0,1,2)
24.69	3.6063	33.7	(0,1,-2)
25.36	3.5117	4.3	(0,2,0)
26.98	3.3042	48.1	(1,1,1)
27.20	3.2790	49.4	(1,1,-1)
27.26	3.2709	3.0	(0,2,1)
27.68	3.2224	5.8	(0,2,-1)
32.57	2.7495	32.4	(1,1,2)
32.71	2.7374	5.5	(0,2,2)
32.92	2.7205	32.8	(1,1,-2)
33.42	2.6810	6.1	(0,2,-2)
33.45	2.6792	15.8	(1,2,0)
33.82	2.6505	23.6	(0,1,3)
34.34	2.6118	16.6	(0,1,-3)
34.95	2.5675	99.9	(1,2,1)
35.28	2.5438	100.0	(1,2,-1)
38.45	2.3413	36.4	(1,0,3)
39.71	2.2697	3.8	(0,3,1)
40.06	2.2510	1.1	(1,2,-2)
40.16	2.2452	2.1	(0,3,-1)
40.40	2.2329	27.3	(1,1,3)

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Energy Properties

Formation Energy/atom

-0.90728

eV/atom

Energy/atom

-30.26550

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.2655

eV/atom

Volume/atom

20.65

Å³

c/a Ratio

2.0546

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0139

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000060

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

0.6758

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.800%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4617

smaller = more stable mixing

VEC

7.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-27.225

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkrw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293936

Reference Citation

The crystal structure and related material properties of Dy2Mg2IrPt were obtained from the Materials Project database (MP-ID: mp-3293936, 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_Dy2Mg2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14410208
_cell_length_b   7.02505831
_cell_length_c   8.51445198
_cell_angle_alpha   88.78567992
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Mg2IrPt
_chemical_formula_sum   'Dy4 Mg4 Ir2 Pt2'
_cell_volume   247.82181474
_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  0.25000000  0.45727706  0.18095795  1.0
  Dy  Dy1  1  0.75000000  0.54272294  0.81904205  1.0
  Dy  Dy2  1  0.75000000  0.03277072  0.66950896  1.0
  Dy  Dy3  1  0.25000000  0.96722928  0.33049104  1.0
  Mg  Mg4  1  0.25000000  0.86384142  0.93944797  1.0
  Mg  Mg5  1  0.75000000  0.13615858  0.06055203  1.0
  Mg  Mg6  1  0.75000000  0.63616386  0.44172681  1.0
  Mg  Mg7  1  0.25000000  0.36383614  0.55827319  1.0
  Ir  Ir8  1  0.25000000  0.74966620  0.62895414  1.0
  Ir  Ir9  1  0.75000000  0.25033380  0.37104586  1.0
  Pt  Pt10  1  0.75000000  0.75012700  0.12371127  1.0
  Pt  Pt11  1  0.25000000  0.24987300  0.87628873  1.0

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