Ho5(Ge5Ir2)2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-643659 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Ho5(Ge5Ir2)2

MP-ID

mp-643659

Elements

Sites

Density

10.7210

g/cm³

Volume

718.65

Å³

Cell a

12.9246

Cell b

12.9246

Cell c

4.3022

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

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
15.33	5.7800	1.6	(2,-1,0)
15.33	5.7800	4.6	(2,1,0)
19.43	4.5695	10.8	(2,-2,0)
19.43	4.5695	10.8	(2,2,0)
20.65	4.3022	11.0	(0,0,1)
21.74	4.0871	5.1	(3,-1,0)
21.74	4.0871	5.1	(3,1,0)
22.85	3.8924	7.0	(1,1,1)
24.84	3.5846	3.9	(3,-2,0)
24.84	3.5846	3.9	(3,2,0)
24.86	3.5812	1.9	(2,0,1)
25.82	3.4511	1.0	(2,1,1)
27.61	3.2311	11.5	(4,0,0)
28.50	3.1323	8.3	(2,-2,1)
28.50	3.1323	8.3	(2,2,1)
29.32	3.0464	4.0	(3,-3,0)
29.32	3.0464	4.0	(3,3,0)
30.16	2.9631	1.3	(3,-1,1)
30.16	2.9631	9.4	(3,1,1)
32.51	2.7540	13.3	(3,-2,1)
32.51	2.7540	13.3	(3,2,1)
34.72	2.5836	100.0	(4,0,1)
35.41	2.5347	6.2	(5,-1,0)
35.41	2.5347	18.7	(5,1,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.76780

eV/atom

Energy/atom

-6.27161

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.8276

eV/atom

Volume/atom

18.91

Å³

c/a Ratio

0.3329

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

Ge · 0.526

Element Family

PostTransition-Noble

Solute Fraction

0.474

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0172

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4567

J/mol·K

Ω Parameter

24.9213

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.999%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3747

smaller = more stable mixing

VEC

6.895

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.567

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9259

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaachryy aaagabym

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-643659

Reference Citation

The crystal structure and related material properties of Ho5(Ge5Ir2)2 were obtained from the Materials Project database (MP-ID: mp-643659, 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_Ho5(Ge5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.92456693
_cell_length_b   12.92456579
_cell_length_c   4.30215619
_cell_angle_alpha   90.00000133
_cell_angle_beta   89.99999920
_cell_angle_gamma   90.00002593
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5(Ge5Ir2)2
_chemical_formula_sum   'Ho10 Ge20 Ir8'
_cell_volume   718.65116655
_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  0.50000018  0.50000095  0.00000012  1.0
  Ho  Ho1  1  0.00000115  -0.00000057  0.00000001  1.0
  Ho  Ho2  1  0.67330246  0.17330177  0.49999994  1.0
  Ho  Ho3  1  0.32669857  0.82669654  0.50000004  1.0
  Ho  Ho4  1  0.17329650  0.32670484  0.50000053  1.0
  Ho  Ho5  1  0.82670249  0.67329638  0.50000006  1.0
  Ho  Ho6  1  0.88470677  0.38471753  0.49999969  1.0
  Ho  Ho7  1  0.11529512  0.61528942  0.49999974  1.0
  Ho  Ho8  1  0.38473609  0.11526692  0.49999983  1.0
  Ho  Ho9  1  0.61526083  0.88472489  0.50000020  1.0
  Ge  Ge10  1  0.56718826  0.06718672  0.00000001  1.0
  Ge  Ge11  1  0.43281177  0.93281052  -0.00000009  1.0
  Ge  Ge12  1  0.06718984  0.43281137  0.00000003  1.0
  Ge  Ge13  1  0.93280917  0.56719287  -0.00000013  1.0
  Ge  Ge14  1  0.66432162  0.70032974  -0.00000012  1.0
  Ge  Ge15  1  0.33567975  0.29967181  0.00000021  1.0
  Ge  Ge16  1  0.16432220  0.79966794  -0.00000009  1.0
  Ge  Ge17  1  0.83567704  0.20033081  0.00000001  1.0
  Ge  Ge18  1  0.29967315  0.66432294  -0.00000010  1.0
  Ge  Ge19  1  0.70032836  0.33568151  -0.00000011  1.0
  Ge  Ge20  1  0.20033225  0.16432073  -0.00000013  1.0
  Ge  Ge21  1  0.79966805  0.83567577  0.00000016  1.0
  Ge  Ge22  1  0.84412364  0.00541716  0.50000007  1.0
  Ge  Ge23  1  0.15587580  0.99457513  0.49999990  1.0
  Ge  Ge24  1  0.34412970  0.49457210  0.50000001  1.0
  Ge  Ge25  1  0.65587131  0.50543161  0.50000005  1.0
  Ge  Ge26  1  0.99457173  0.84412363  0.49999994  1.0
  Ge  Ge27  1  0.00542405  0.15587159  0.50000014  1.0
  Ge  Ge28  1  0.50542686  0.34412979  0.50000019  1.0
  Ge  Ge29  1  0.49457389  0.65587488  0.49999985  1.0
  Ir  Ir30  1  0.75439079  0.01962297  0.00000000  1.0
  Ir  Ir31  1  0.24560891  0.98037239  -0.00000008  1.0
  Ir  Ir32  1  0.25438708  0.48037320  -0.00000001  1.0
  Ir  Ir33  1  0.74561162  0.51962976  0.00000004  1.0
  Ir  Ir34  1  0.98037264  0.75438771  -0.00000010  1.0
  Ir  Ir35  1  0.01962880  0.24561320  0.00000008  1.0
  Ir  Ir36  1  0.51962675  0.25439266  0.00000021  1.0
  Ir  Ir37  1  0.48037584  0.74560880  -0.00000009  1.0

Get direct link