Y8Ho2IrRu3

高熵材料 HEA

MP-ID: mp-3295749 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Y8Ho2IrRu3

MP-ID

mp-3295749

Elements

Sites

Density

7.0258

g/cm³

Volume

363.16

Å³

Cell a

6.3936

Cell b

7.2642

Cell c

8.5221

α Angle

96.73

β Angle

112.34

γ Angle

89.92

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
11.32	7.8192	91.1	(0,0,1)
12.28	7.2061	8.5	(0,1,0)
14.94	5.9291	59.3	(1,0,-1)
15.00	5.9070	27.3	(1,0,0)
15.64	5.6675	4.7	(0,1,-1)
17.76	4.9942	3.8	(0,1,1)
18.92	4.6914	14.2	(1,1,-1)
18.97	4.6775	9.2	(1,-1,0)
19.85	4.4734	49.3	(1,-1,-1)
19.88	4.4664	44.5	(1,1,0)
21.94	4.0507	9.8	(1,0,-2)
22.75	3.9096	7.1	(0,0,2)
24.12	3.6897	28.9	(1,1,-2)
24.24	3.6723	27.4	(1,-1,1)
24.50	3.6341	2.1	(0,1,-2)
24.71	3.6031	4.3	(0,2,0)
26.28	3.3913	3.0	(1,-1,-2)
26.37	3.3799	1.1	(1,1,1)
27.29	3.2679	1.4	(0,1,2)
28.36	3.1475	39.8	(1,2,-1)
28.40	3.1425	33.1	(1,-2,0)
28.56	3.1258	1.1	(0,2,1)
29.63	3.0150	11.2	(1,-2,-1)
29.64	3.0136	30.8	(1,2,0)

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Energy Properties

Formation Energy/atom

-0.44117

eV/atom

Energy/atom

-25.93434

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.9343

eV/atom

Volume/atom

25.94

Å³

c/a Ratio

1.3329

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0869

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000240

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.571

Element Family

4d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

0.6003

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.135%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4418

smaller = more stable mixing

VEC

5.643

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-31.389

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnjp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295749

Reference Citation

The crystal structure and related material properties of Y8Ho2IrRu3 were obtained from the Materials Project database (MP-ID: mp-3295749, 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_Y8Ho2IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39359835
_cell_length_b   7.26422988
_cell_length_c   8.52209961
_cell_angle_alpha   96.73346054
_cell_angle_beta   112.34467220
_cell_angle_gamma   89.92352565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y8Ho2IrRu3
_chemical_formula_sum   'Y8 Ho2 Ir1 Ru3'
_cell_volume   363.15742290
_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
  Y  Y0  1  0.97931850  0.91530181  0.18462047  1.0
  Y  Y1  1  0.79226665  0.58798130  0.81315638  1.0
  Y  Y2  1  0.02181788  0.08657998  0.81480453  1.0
  Y  Y3  1  0.20848634  0.41248277  0.18464076  1.0
  Y  Y4  1  0.64221523  0.81634503  0.43341634  1.0
  Y  Y5  1  0.21064460  0.68256974  0.56679556  1.0
  Y  Y6  1  0.35577353  0.18450464  0.56714162  1.0
  Y  Y7  1  0.78753969  0.31515687  0.43515352  1.0
  Ho  Ho8  1  0.42405841  0.74895104  0.99983414  1.0
  Ho  Ho9  1  0.57711468  0.24989398  0.99934534  1.0
  Ir  Ir10  1  0.82242026  0.57477344  0.22003292  1.0
  Ru  Ru11  1  0.60603252  0.92561123  0.78235097  1.0
  Ru  Ru12  1  0.17585487  0.42616988  0.78171041  1.0
  Ru  Ru13  1  0.39645686  0.07368031  0.21699904  1.0

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