Ho2Si2Ir3Rh

高熵材料 HEA

MP-ID: mp-3251684 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho2Si2Ir3Rh

MP-ID

mp-3251684

Elements

Sites

Density

12.5391

g/cm³

Volume

141.11

Å³

Cell a

8.9197

Cell b

8.9197

Cell c

4.0590

α Angle

90.00

β Angle

90.00

γ Angle

154.09

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
10.18	8.6926	5.1	(1,-1,0)
20.43	4.3463	5.1	(2,-2,0)
22.82	3.8977	4.4	(1,0,0)
24.20	3.6778	1.8	(1,-1,1)
27.09	3.2917	11.4	(2,-1,0)
30.13	2.9665	1.3	(2,-2,1)
30.86	2.8976	13.5	(3,-3,0)
34.17	2.6241	7.4	(3,-2,0)
34.17	2.6241	7.4	(2,-3,0)
35.10	2.5566	100.0	(2,-1,1)
38.16	2.3583	17.0	(3,-3,1)
44.65	2.0295	18.7	(0,0,2)
45.35	1.9997	17.9	(1,1,0)
47.46	1.9159	12.7	(4,-4,1)
48.64	1.8721	8.8	(4,-3,1)
49.57	1.8389	1.0	(2,-2,2)
50.72	1.8001	1.1	(1,0,2)
52.62	1.7394	3.5	(5,-4,0)
52.62	1.7394	3.5	(4,-5,0)
52.65	1.7385	1.0	(5,-5,0)
53.01	1.7275	3.8	(2,-1,2)
55.26	1.6623	5.3	(3,-3,2)
55.86	1.6458	5.1	(4,-2,0)
57.40	1.6054	3.4	(3,-2,2)

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Energy Properties

Formation Energy/atom

-1.14143

eV/atom

Energy/atom

-34.20699

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.2070

eV/atom

Volume/atom

17.64

Å³

c/a Ratio

0.4551

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ir · 0.375

Element Family

5d-TM

Solute Fraction

0.625

Interstitial Fraction

0.250

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3209

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.9819

J/mol·K

Ω Parameter

5.4355

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.045%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4049

smaller = more stable mixing

VEC

8.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.368

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9528

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdaeu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3251684

Reference Citation

The crystal structure and related material properties of Ho2Si2Ir3Rh were obtained from the Materials Project database (MP-ID: mp-3251684, 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_Ho2Si2Ir3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91969579
_cell_length_b   8.91969547
_cell_length_c   4.05897491
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   154.08902648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Si2Ir3Rh
_chemical_formula_sum   'Ho2 Si2 Ir3 Rh1'
_cell_volume   141.11464914
_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
  Ho  Ho0  1  0.09826988  0.90173012  0.75000000  1.0
  Ho  Ho1  1  0.90217706  0.09782294  0.25000000  1.0
  Si  Si2  1  0.32321253  0.67678747  0.75000000  1.0
  Si  Si3  1  0.67653657  0.32346343  0.25000000  1.0
  Ir  Ir4  1  0.54315033  0.45684967  0.25000000  1.0
  Ir  Ir5  1  0.45657609  0.54342391  0.75000000  1.0
  Ir  Ir6  1  0.25053988  0.74946012  0.25000000  1.0
  Rh  Rh7  1  0.74953867  0.25046133  0.75000000  1.0

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