Y10Ag3Ir

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292670 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Y10Ag3Ir

MP-ID

mp-3292670

Elements

Sites

Density

6.1039

g/cm³

Volume

764.38

Å³

Cell a

9.5573

Cell b

9.5574

Cell c

9.6628

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
14.09	6.2861	29.3	(0,1,-1,1)
14.09	6.2861	29.3	(1,-1,0,1)
14.09	6.2861	29.3	(1,0,-1,1)
18.36	4.8314	46.5	(0,0,0,2)
18.57	4.7787	10.2	(1,-2,1,0)
18.57	4.7787	10.2	(1,1,-2,0)
18.57	4.7787	10.2	(2,-1,-1,0)
21.29	4.1726	2.3	(0,1,-1,2)
21.29	4.1726	2.3	(1,-1,0,2)
21.29	4.1726	2.3	(1,0,-1,2)
21.47	4.1385	4.1	(0,2,-2,0)
21.47	4.1385	4.1	(2,-2,0,0)
21.47	4.1385	4.1	(2,0,-2,0)
23.38	3.8043	29.7	(0,2,-2,1)
23.38	3.8042	29.7	(2,-2,0,1)
23.38	3.8042	29.7	(2,0,-2,1)
26.23	3.3975	3.9	(1,-2,1,2)
26.23	3.3975	3.9	(1,1,-2,2)
26.23	3.3975	3.9	(2,-1,-1,2)
28.40	3.1430	3.7	(0,2,-2,2)
28.40	3.1430	3.7	(2,-2,0,2)
28.40	3.1430	3.7	(2,0,-2,2)
28.53	3.1284	2.6	(1,-3,2,0)
28.53	3.1284	2.6	(1,2,-3,0)

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Energy Properties

Formation Energy/atom

-0.33743

eV/atom

Energy/atom

-23.16335

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.1634

eV/atom

Volume/atom

27.30

Å³

c/a Ratio

1.0110

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4581

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000600

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.714

Element Family

4d-TM

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

0.3178

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.208%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3568

smaller = more stable mixing

VEC

5.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-34.648

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.669

Family

Y-rich Multi-Component

Matrix Element

Y · 0.714

Related Tasks

Related computation task IDs (1)

aaahfive

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292670

Reference Citation

The crystal structure and related material properties of Y10Ag3Ir were obtained from the Materials Project database (MP-ID: mp-3292670, 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_Y10Ag3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.55731461
_cell_length_b   9.55741451
_cell_length_c   9.66277126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99976063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y10Ag3Ir
_chemical_formula_sum   'Y20 Ag6 Ir2'
_cell_volume   764.38064639
_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
  Y  Y0  1  0.20810588  0.79189986  0.94114140  1.0
  Y  Y1  1  0.20810429  0.41620381  0.94114347  1.0
  Y  Y2  1  0.58379383  0.79189746  0.94114071  1.0
  Y  Y3  1  0.79189412  0.20810014  0.05885860  1.0
  Y  Y4  1  0.79189571  0.58379619  0.05885653  1.0
  Y  Y5  1  0.41620617  0.20810254  0.05885929  1.0
  Y  Y6  1  0.79189412  0.20810014  0.44114140  1.0
  Y  Y7  1  0.79189571  0.58379619  0.44114347  1.0
  Y  Y8  1  0.41620617  0.20810254  0.44114071  1.0
  Y  Y9  1  0.20810588  0.79189986  0.55885860  1.0
  Y  Y10  1  0.20810429  0.41620381  0.55885653  1.0
  Y  Y11  1  0.58379383  0.79189746  0.55885929  1.0
  Y  Y12  1  0.54102628  0.45897196  0.75000000  1.0
  Y  Y13  1  0.54102733  0.08205638  0.75000000  1.0
  Y  Y14  1  0.91794397  0.45897181  0.75000000  1.0
  Y  Y15  1  0.45897372  0.54102804  0.25000000  1.0
  Y  Y16  1  0.45897267  0.91794362  0.25000000  1.0
  Y  Y17  1  0.08205603  0.54102819  0.25000000  1.0
  Y  Y18  1  0.00000000  0.00000000  0.00000000  1.0
  Y  Y19  1  0.00000000  0.00000000  0.50000000  1.0
  Ag  Ag20  1  0.88362919  0.11633921  0.75000000  1.0
  Ag  Ag21  1  0.88364154  0.76729840  0.75000000  1.0
  Ag  Ag22  1  0.23271432  0.11634918  0.75000000  1.0
  Ag  Ag23  1  0.11637081  0.88366079  0.25000000  1.0
  Ag  Ag24  1  0.11635846  0.23270160  0.25000000  1.0
  Ag  Ag25  1  0.76728568  0.88365082  0.25000000  1.0
  Ir  Ir26  1  0.33332586  0.66665356  0.75000000  1.0
  Ir  Ir27  1  0.66667414  0.33334644  0.25000000  1.0

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