Ho2Al8GeIr3

高熵材料 HEA

MP-ID: mp-3295577 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Ho2Al8GeIr3

MP-ID

mp-3295577

Elements

Sites

Density

8.6650

g/cm³

Volume

458.01

Å³

Cell a

7.5006

Cell b

7.5006

Cell c

9.3740

α Angle

90.00

β Angle

90.00

γ Angle

119.72

Space Group

Cmcm

Point Group

mmm

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
13.59	6.5142	10.0	(1,0,-1,0)
13.65	6.4864	2.1	(1,-1,0,0)
16.57	5.3494	6.3	(1,0,-1,1)
18.93	4.6870	10.4	(0,0,0,2)
23.38	3.8046	4.8	(1,0,-1,2)
23.62	3.7664	16.6	(1,1,-2,0)
23.73	3.7502	38.8	(2,-1,-1,0)
25.49	3.4948	7.7	(1,1,-2,1)
25.58	3.4819	30.2	(2,-1,-1,1)
27.50	3.2432	1.9	(2,-2,0,0)
29.02	3.0767	10.7	(2,0,-2,1)
30.45	2.9359	55.6	(1,1,-2,2)
30.53	2.9283	100.0	(2,-1,-1,2)
31.76	2.8173	1.7	(1,0,-1,3)
33.50	2.6747	1.4	(2,0,-2,2)
33.60	2.6670	5.7	(2,-2,0,2)
36.45	2.4652	5.3	(2,1,-3,0)
37.40	2.4048	11.5	(1,1,-2,3)
37.46	2.4006	33.5	(2,-1,-1,3)
37.85	2.3773	13.0	(3,-1,-2,1)
38.41	2.3435	37.0	(0,0,0,4)
39.98	2.2548	4.9	(2,0,-2,3)
40.93	2.2052	1.3	(1,0,-1,4)
41.38	2.1818	9.2	(2,1,-3,2)

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Energy Properties

Formation Energy/atom

-0.94244

eV/atom

Energy/atom

-21.69740

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.6974

eV/atom

Volume/atom

16.36

Å³

c/a Ratio

1.2498

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

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

Al · 0.571

Element Family

PostTransition-Noble

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

1.5790

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.182%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3107

smaller = more stable mixing

VEC

5.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.550

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfncz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295577

Reference Citation

The crystal structure and related material properties of Ho2Al8GeIr3 were obtained from the Materials Project database (MP-ID: mp-3295577, 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_Ho2Al8GeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50055056
_cell_length_b   7.50055100
_cell_length_c   9.37403634
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.71595414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Al8GeIr3
_chemical_formula_sum   'Ho4 Al16 Ge2 Ir6'
_cell_volume   458.01481517
_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
  Ho  Ho0  1  0.99539189  0.67635534  0.25000000  1.0
  Ho  Ho1  1  0.00460811  0.32364466  0.75000000  1.0
  Ho  Ho2  1  0.67635534  0.99539189  0.25000000  1.0
  Ho  Ho3  1  0.32364466  0.00460811  0.75000000  1.0
  Al  Al4  1  0.00122379  0.33736391  0.07285312  1.0
  Al  Al5  1  0.99877621  0.66263609  0.92714688  1.0
  Al  Al6  1  0.99877621  0.66263609  0.57285312  1.0
  Al  Al7  1  0.33736391  0.00122379  0.42714688  1.0
  Al  Al8  1  0.00122379  0.33736391  0.42714688  1.0
  Al  Al9  1  0.66263609  0.99877621  0.57285312  1.0
  Al  Al10  1  0.66263609  0.99877621  0.92714688  1.0
  Al  Al11  1  0.33736391  0.00122379  0.07285312  1.0
  Al  Al12  1  0.33629860  0.33629860  0.55912327  1.0
  Al  Al13  1  0.66370140  0.66370140  0.44087673  1.0
  Al  Al14  1  0.66370140  0.66370140  0.05912327  1.0
  Al  Al15  1  0.33629860  0.33629860  0.94087673  1.0
  Al  Al16  1  0.33574814  0.55276661  0.25000000  1.0
  Al  Al17  1  0.66425186  0.44723339  0.75000000  1.0
  Al  Al18  1  0.55276661  0.33574814  0.25000000  1.0
  Al  Al19  1  0.44723339  0.66425186  0.75000000  1.0
  Ge  Ge20  1  0.13665923  0.13665923  0.25000000  1.0
  Ge  Ge21  1  0.86334077  0.86334077  0.75000000  1.0
  Ir  Ir22  1  0.67115622  0.32884378  0.00000000  1.0
  Ir  Ir23  1  0.32884378  0.67115622  0.00000000  1.0
  Ir  Ir24  1  0.32884378  0.67115622  0.50000000  1.0
  Ir  Ir25  1  0.67115622  0.32884378  0.50000000  1.0
  Ir  Ir26  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir27  1  0.00000000  0.00000000  0.50000000  1.0

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