Y5Ge10P2Ir19

High-Entropy Materials HEA

MP-ID: mp-3293116 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Y5Ge10P2Ir19

MP-ID

mp-3293116

Elements

Sites

Density

13.9144

g/cm³

Volume

582.97

Å³

Cell a

13.0090

Cell b

13.0090

Cell c

3.9847

α Angle

90.00

β Angle

90.00

γ Angle

120.17

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
7.84	11.2760	2.1	(1,-1,0,0)
7.86	11.2464	5.6	(1,0,-1,0)
13.61	6.5045	17.7	(2,-1,-1,0)
13.65	6.4875	9.7	(1,1,-2,0)
20.85	4.2603	7.0	(3,-2,-1,0)
20.87	4.2555	6.0	(3,-1,-2,0)
20.91	4.2476	6.3	(2,1,-3,0)
23.68	3.7570	1.1	(1,-1,0,1)
23.69	3.7559	1.8	(1,0,-1,1)
27.42	3.2522	8.7	(4,-2,-2,0)
27.50	3.2437	3.8	(2,2,-4,0)
30.72	2.9102	8.0	(3,-2,-1,1)
30.74	2.9086	6.6	(3,-1,-2,1)
30.77	2.9061	6.1	(2,1,-3,1)
32.75	2.7342	1.1	(3,-3,0,1)
34.70	2.5855	1.2	(5,-3,-2,0)
34.72	2.5837	1.3	(5,-2,-3,0)
35.63	2.5196	100.0	(4,-2,-2,1)
35.69	2.5156	51.6	(2,2,-4,1)
36.52	2.4603	3.5	(5,-4,-1,0)
36.53	2.4598	9.0	(4,-3,-1,1)
36.57	2.4574	9.9	(4,-1,-3,1)
36.59	2.4557	4.5	(5,-1,-4,0)
36.60	2.4552	10.7	(3,1,-4,1)

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Energy Properties

Formation Energy/atom

-0.76382

eV/atom

Energy/atom

-35.57270

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.5727

eV/atom

Volume/atom

16.19

Å³

c/a Ratio

0.3063

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0046

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ir · 0.528

Element Family

5d-TM

Solute Fraction

0.472

Interstitial Fraction

0.056

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1279

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3770

J/mol·K

Ω Parameter

0.8072

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.349%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3279

smaller = more stable mixing

VEC

6.556

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-23.808

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8136

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjmi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293116

Reference Citation

The crystal structure and related material properties of Y5Ge10P2Ir19 were obtained from the Materials Project database (MP-ID: mp-3293116, 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_Y5Ge10P2Ir19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.00901983
_cell_length_b   13.00902021
_cell_length_c   3.98465229
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.17339722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Ge10P2Ir19
_chemical_formula_sum   'Y5 Ge10 P2 Ir19'
_cell_volume   582.97340490
_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  0.66702017  0.33256802  0.00000000  1.0
  Y  Y1  1  0.33256802  0.66702017  0.00000000  1.0
  Y  Y2  1  0.81546649  0.81546649  0.50000000  1.0
  Y  Y3  1  0.18371802  0.99962491  0.50000000  1.0
  Y  Y4  1  0.99962491  0.18371802  0.50000000  1.0
  Ge  Ge5  1  0.68417989  0.16477970  0.50000000  1.0
  Ge  Ge6  1  0.83455899  0.51758664  0.50000000  1.0
  Ge  Ge7  1  0.48338536  0.31607552  0.50000000  1.0
  Ge  Ge8  1  0.16477970  0.68417989  0.50000000  1.0
  Ge  Ge9  1  0.51758664  0.83455899  0.50000000  1.0
  Ge  Ge10  1  0.31607552  0.48338536  0.50000000  1.0
  Ge  Ge11  1  0.63582202  0.63582202  0.00000000  1.0
  Ge  Ge12  1  0.36476567  0.00064895  0.00000000  1.0
  Ge  Ge13  1  0.00064895  0.36476567  0.00000000  1.0
  Ge  Ge14  1  0.17424701  0.17424701  0.00000000  1.0
  P  P15  1  0.81990576  0.99935850  0.00000000  1.0
  P  P16  1  0.99935850  0.81990576  0.00000000  1.0
  Ir  Ir17  1  0.80821478  0.17574480  0.00000000  1.0
  Ir  Ir18  1  0.82394010  0.63053396  0.00000000  1.0
  Ir  Ir19  1  0.37513352  0.19484311  0.00000000  1.0
  Ir  Ir20  1  0.17574480  0.80821478  0.00000000  1.0
  Ir  Ir21  1  0.63053396  0.82394010  0.00000000  1.0
  Ir  Ir22  1  0.19484311  0.37513352  0.00000000  1.0
  Ir  Ir23  1  0.44699241  0.44699241  0.00000000  1.0
  Ir  Ir24  1  0.55360197  0.99961265  0.00000000  1.0
  Ir  Ir25  1  0.99961265  0.55360197  0.00000000  1.0
  Ir  Ir26  1  0.28147505  0.28147505  0.50000000  1.0
  Ir  Ir27  1  0.72596097  0.99984887  0.50000000  1.0
  Ir  Ir28  1  0.99984887  0.72596097  0.50000000  1.0
  Ir  Ir29  1  0.87230845  0.35585238  0.50000000  1.0
  Ir  Ir30  1  0.64419171  0.51657690  0.50000000  1.0
  Ir  Ir31  1  0.48554966  0.12664847  0.50000000  1.0
  Ir  Ir32  1  0.35585238  0.87230845  0.50000000  1.0
  Ir  Ir33  1  0.51657690  0.64419171  0.50000000  1.0
  Ir  Ir34  1  0.12664847  0.48554966  0.50000000  1.0
  Ir  Ir35  1  0.98925862  0.98925862  0.00000000  1.0

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