Dy10IrRu3

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295413 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy10IrRu3

MP-ID

mp-3295413

Elements

Sites

Density

9.8256

g/cm³

Volume

358.35

Å³

Cell a

8.4628

Cell b

8.4861

Cell c

7.2241

α Angle

83.23

β Angle

83.26

γ Angle

44.14

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
11.36	7.7900	8.7	(1,1,0)
12.35	7.1656	4.1	(0,0,1)
15.01	5.9025	7.6	(0,1,0)
15.05	5.8866	2.8	(1,0,0)
15.70	5.6429	2.3	(1,1,1)
17.85	4.9688	1.9	(1,1,-1)
19.01	4.6687	2.3	(0,1,1)
19.05	4.6582	1.7	(1,0,1)
19.95	4.4508	28.7	(0,1,-1)
19.97	4.4463	26.0	(1,0,-1)
22.04	4.0322	1.0	(1,2,0)
22.13	4.0170	1.4	(2,1,0)
22.83	3.8950	4.5	(2,2,0)
24.23	3.6728	1.3	(1,2,1)
24.32	3.6601	1.0	(2,1,1)
24.59	3.6204	1.1	(2,2,1)
24.85	3.5828	4.5	(0,0,2)
26.41	3.3742	7.2	(1,2,-1)
26.48	3.3663	4.7	(2,1,-1)
28.02	3.1839	4.7	(1,-1,0)
28.51	3.1311	40.3	(0,1,2)
28.54	3.1271	35.3	(1,0,2)
28.72	3.1086	29.8	(1,1,-2)
29.79	2.9987	7.4	(0,1,-2)

Get direct link

Energy Properties

Formation Energy/atom

-0.47908

eV/atom

Energy/atom

-32.51129

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.5113

eV/atom

Volume/atom

25.60

Å³

c/a Ratio

0.8536

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1403

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000390

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.199%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4427

smaller = more stable mixing

VEC

9.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmwr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295413

Reference Citation

The crystal structure and related material properties of Dy10IrRu3 were obtained from the Materials Project database (MP-ID: mp-3295413, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Dy10IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46276844
_cell_length_b   8.48612664
_cell_length_c   7.22406552
_cell_angle_alpha   83.22702906
_cell_angle_beta   83.25600946
_cell_angle_gamma   44.13637266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10IrRu3
_chemical_formula_sum   'Dy10 Ir1 Ru3'
_cell_volume   358.35415726
_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  0.20671191  0.98072003  0.58799519  1.0
  Dy  Dy1  1  0.01940720  0.79554226  0.91511176  1.0
  Dy  Dy2  1  0.21211599  0.35214349  0.31439590  1.0
  Dy  Dy3  1  0.64481004  0.78869256  0.18530023  1.0
  Dy  Dy4  1  0.78847960  0.64490670  0.68394805  1.0
  Dy  Dy5  1  0.35620680  0.20956116  0.81557930  1.0
  Dy  Dy6  1  0.97987451  0.20613823  0.08713061  1.0
  Dy  Dy7  1  0.79230934  0.02245280  0.41221874  1.0
  Dy  Dy8  1  0.57689076  0.42322922  0.74939221  1.0
  Dy  Dy9  1  0.42298874  0.57805426  0.24901637  1.0
  Ir  Ir10  1  0.17369199  0.60307196  0.57505515  1.0
  Ru  Ru11  1  0.39218820  0.82912936  0.92476253  1.0
  Ru  Ru12  1  0.82934262  0.39271220  0.42565668  1.0
  Ru  Ru13  1  0.60498232  0.17364576  0.07443928  1.0

Get direct link