Y2Ga10Ru3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295528 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Y2Ga10Ru3

MP-ID

mp-3295528

Elements

Sites

Density

7.8477

g/cm³

Volume

498.63

Å³

Cell a

8.7910

Cell b

8.7910

Cell c

6.4520

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
13.72	6.4520	12.2	(0,0,1)
14.25	6.2162	1.9	(1,1,0)
19.83	4.4766	15.6	(1,1,1)
22.62	3.9315	17.6	(2,1,0)
24.51	3.6326	6.0	(2,0,1)
27.65	3.2260	2.4	(0,0,2)
31.96	2.8001	11.4	(2,2,1)
32.20	2.7800	1.1	(3,1,0)
34.49	2.6007	19.5	(2,0,2)
35.15	2.5531	19.0	(3,1,1)
36.01	2.4939	87.1	(2,1,2)
36.86	2.4382	11.2	(3,2,0)
39.51	2.2808	3.1	(3,2,1)
40.29	2.2383	41.5	(2,2,2)
41.07	2.1978	11.1	(4,0,0)
42.01	2.1507	18.9	(0,0,3)
42.39	2.1321	97.7	(4,1,0)
42.95	2.1059	100.0	(3,1,2)
43.68	2.0721	29.0	(3,3,0)
44.58	2.0325	2.3	(1,1,3)
44.77	2.0245	5.1	(4,1,1)
46.00	1.9728	7.3	(3,3,1)
46.18	1.9657	20.5	(4,2,0)
46.70	1.9451	26.7	(3,2,2)

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Energy Properties

Formation Energy/atom

-0.58681

eV/atom

Energy/atom

-16.00871

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.0087

eV/atom

Volume/atom

16.62

Å³

c/a Ratio

0.7339

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0036

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

Ga · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1571

J/mol·K

Ω Parameter

0.4570

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.924%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2772

smaller = more stable mixing

VEC

4.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.085

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7836

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.628

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.667

Related Tasks

Related computation task IDs (1)

aaahfnbc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295528

Reference Citation

The crystal structure and related material properties of Y2Ga10Ru3 were obtained from the Materials Project database (MP-ID: mp-3295528, 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_Y2Ga10Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79104321
_cell_length_b   8.79104321
_cell_length_c   6.45199659
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Ga10Ru3
_chemical_formula_sum   'Y4 Ga20 Ru6'
_cell_volume   498.62604360
_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  0.18256797  0.68256797  0.00000000  1.0
  Y  Y1  1  0.81743203  0.31743203  0.00000000  1.0
  Y  Y2  1  0.68256797  0.81743203  0.00000000  1.0
  Y  Y3  1  0.31743203  0.18256797  0.00000000  1.0
  Ga  Ga4  1  0.06065816  0.20605070  0.70398668  1.0
  Ga  Ga5  1  0.93934184  0.79394930  0.70398668  1.0
  Ga  Ga6  1  0.56065816  0.29394930  0.70398668  1.0
  Ga  Ga7  1  0.43934184  0.70605070  0.70398668  1.0
  Ga  Ga8  1  0.79394930  0.06065816  0.70398668  1.0
  Ga  Ga9  1  0.20605070  0.93934184  0.70398668  1.0
  Ga  Ga10  1  0.70605070  0.56065816  0.70398668  1.0
  Ga  Ga11  1  0.29394930  0.43934184  0.70398668  1.0
  Ga  Ga12  1  0.93934184  0.79394930  0.29601332  1.0
  Ga  Ga13  1  0.06065816  0.20605070  0.29601332  1.0
  Ga  Ga14  1  0.43934184  0.70605070  0.29601332  1.0
  Ga  Ga15  1  0.56065816  0.29394930  0.29601332  1.0
  Ga  Ga16  1  0.20605070  0.93934184  0.29601332  1.0
  Ga  Ga17  1  0.79394930  0.06065816  0.29601332  1.0
  Ga  Ga18  1  0.29394930  0.43934184  0.29601332  1.0
  Ga  Ga19  1  0.70605070  0.56065816  0.29601332  1.0
  Ga  Ga20  1  0.00000000  0.50000000  0.70849704  1.0
  Ga  Ga21  1  0.50000000  0.00000000  0.70849704  1.0
  Ga  Ga22  1  0.00000000  0.50000000  0.29150296  1.0
  Ga  Ga23  1  0.50000000  0.00000000  0.29150296  1.0
  Ru  Ru24  1  0.17894469  0.67894469  0.50000000  1.0
  Ru  Ru25  1  0.82105531  0.32105531  0.50000000  1.0
  Ru  Ru26  1  0.67894469  0.82105531  0.50000000  1.0
  Ru  Ru27  1  0.32105531  0.17894469  0.50000000  1.0
  Ru  Ru28  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru29  1  0.50000000  0.50000000  0.00000000  1.0

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