Y10Ag3Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296190 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Y10Ag3Rh

MP-ID

mp-3296190

Elements

Sites

Density

5.7212

g/cm³

Volume

763.67

Å³

Cell a

9.5671

Cell b

9.5671

Cell c

9.6341

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
10.68	8.2854	3.8	(1,0,-1,0)
14.10	6.2818	4.2	(1,0,-1,1)
18.42	4.8170	6.2	(0,0,0,2)
18.55	4.7836	1.5	(2,-1,-1,0)
21.45	4.1427	1.3	(2,0,-2,0)
23.37	3.8058	10.1	(2,0,-2,1)
28.42	3.1409	4.8	(2,0,-2,2)
28.50	3.1316	6.7	(3,-1,-2,0)
29.84	2.9943	17.1	(1,0,-1,3)
30.00	2.9782	2.2	(3,-1,-2,1)
32.42	2.7618	11.5	(3,0,-3,0)
33.76	2.6549	48.8	(3,0,-3,1)
33.76	2.6549	24.4	(3,-3,0,1)
34.15	2.6255	100.0	(3,-1,-2,2)
35.36	2.5381	49.5	(2,0,-2,3)
37.34	2.4085	14.7	(0,0,0,4)
37.61	2.3918	5.3	(2,2,-4,0)
37.61	2.3918	10.6	(4,-2,-2,0)
38.94	2.3128	1.5	(1,0,-1,4)
40.22	2.2420	1.1	(2,1,-3,3)
40.22	2.2420	1.1	(3,-1,-2,3)
40.35	2.2353	4.0	(3,1,-4,1)
40.35	2.2353	2.0	(4,-1,-3,1)
42.00	2.1512	1.6	(2,-1,-1,4)

Get direct link

Energy Properties

Formation Energy/atom

-0.30864

eV/atom

Energy/atom

-21.11863

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.1186

eV/atom

Volume/atom

27.27

Å³

c/a Ratio

1.0070

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4646

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000610

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

0.3105

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.382%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3693

smaller = more stable mixing

VEC

5.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-34.743

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)

aaahfoao

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296190

Reference Citation

The crystal structure and related material properties of Y10Ag3Rh were obtained from the Materials Project database (MP-ID: mp-3296190, 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_Y10Ag3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56714175
_cell_length_b   9.56714243
_cell_length_c   9.63408070
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y10Ag3Rh
_chemical_formula_sum   'Y20 Ag6 Rh2'
_cell_volume   763.66939315
_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  0.20803165  0.79196835  0.94042559  1.0
  Y  Y1  1  0.20803165  0.41606529  0.94042559  1.0
  Y  Y2  1  0.58393471  0.79196835  0.94042559  1.0
  Y  Y3  1  0.79196835  0.20803165  0.05957441  1.0
  Y  Y4  1  0.79196835  0.58393471  0.05957441  1.0
  Y  Y5  1  0.41606529  0.20803165  0.05957441  1.0
  Y  Y6  1  0.79196835  0.20803165  0.44042559  1.0
  Y  Y7  1  0.79196835  0.58393471  0.44042559  1.0
  Y  Y8  1  0.41606529  0.20803165  0.44042559  1.0
  Y  Y9  1  0.20803165  0.79196835  0.55957441  1.0
  Y  Y10  1  0.20803165  0.41606529  0.55957441  1.0
  Y  Y11  1  0.58393471  0.79196835  0.55957441  1.0
  Y  Y12  1  0.54204897  0.45795103  0.75000000  1.0
  Y  Y13  1  0.54204897  0.08409894  0.75000000  1.0
  Y  Y14  1  0.91590106  0.45795103  0.75000000  1.0
  Y  Y15  1  0.45795103  0.54204897  0.25000000  1.0
  Y  Y16  1  0.45795103  0.91590106  0.25000000  1.0
  Y  Y17  1  0.08409894  0.54204897  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  0.88330371  0.11669629  0.75000000  1.0
  Ag  Ag21  1  0.88330371  0.76660942  0.75000000  1.0
  Ag  Ag22  1  0.23339058  0.11669629  0.75000000  1.0
  Ag  Ag23  1  0.11669629  0.88330371  0.25000000  1.0
  Ag  Ag24  1  0.11669629  0.23339058  0.25000000  1.0
  Ag  Ag25  1  0.76660942  0.88330371  0.25000000  1.0
  Rh  Rh26  1  0.33333300  0.66666700  0.75000000  1.0
  Rh  Rh27  1  0.66666700  0.33333300  0.25000000  1.0

Get direct link