Y(Zn10Ru)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-640315 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

Y(Zn10Ru)2

MP-ID

mp-640315

Elements

Sites

Density

7.2923

g/cm³

Volume

728.32

Å³

Cell a

10.0990

Cell b

10.0990

Cell c

10.0990

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

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
10.73	8.2458	23.6	(1,1,1)
20.63	4.3062	9.2	(2,2,1)
21.55	4.1229	2.9	(2,2,2)
24.94	3.5705	1.1	(2,2,0)
35.56	2.5248	16.6	(4,2,2)
37.25	2.4141	74.6	(4,3,2)
37.79	2.3804	17.4	(4,3,3)
39.92	2.2582	35.7	(4,3,1)
41.46	2.1780	82.0	(4,4,3)
41.96	2.1531	100.0	(4,4,2)
43.92	2.0615	31.0	(4,4,4)
45.35	1.9999	41.9	(5,3,3)
47.65	1.9085	1.9	(5,4,3)
52.44	1.7448	6.9	(5,5,3)
54.52	1.6832	23.5	(6,3,3)
55.74	1.6492	4.3	(6,4,3)
57.74	1.5968	2.9	(6,4,2)
58.91	1.5677	2.7	(6,5,4)
59.30	1.5583	2.4	(6,3,1)
60.84	1.5225	1.5	(6,1,1)
63.86	1.4577	5.9	(6,6,4)
64.97	1.4354	11.0	(7,4,4)
66.80	1.4005	8.3	(7,5,4)
68.24	1.3743	23.6	(6,6,2)

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Energy Properties

Formation Energy/atom

-0.19603

eV/atom

Energy/atom

-2.38093

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-2.3809

eV/atom

Volume/atom

15.83

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0294

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.870

Element Family

3d-TM

Solute Fraction

0.130

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4702

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.9095

J/mol·K

Ω Parameter

0.6301

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.898%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1830

smaller = more stable mixing

VEC

11.261

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.629

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4280

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.864

Family

Zn-based Alloy

Matrix Element

Zn · 0.870

Related Tasks

Related computation task IDs (3)

aaacemfs aaadafbu aaadrxcv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-640315

Reference Citation

The crystal structure and related material properties of Y(Zn10Ru)2 were obtained from the Materials Project database (MP-ID: mp-640315, 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_Y(Zn10Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09901360
_cell_length_b   10.09901360
_cell_length_c   10.09901360
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(Zn10Ru)2
_chemical_formula_sum   'Y2 Zn40 Ru4'
_cell_volume   728.31939175
_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  0.50000000  0.50000000  0.50000000  1.0
  Y  Y1  1  0.75000000  0.75000000  0.75000000  1.0
  Zn  Zn2  1  0.29962500  0.29962500  0.83211500  1.0
  Zn  Zn3  1  0.29962500  0.56863600  0.83211500  1.0
  Zn  Zn4  1  0.95037500  0.68136400  0.95037500  1.0
  Zn  Zn5  1  0.95037500  0.41788500  0.95037500  1.0
  Zn  Zn6  1  0.29962500  0.29962500  0.56863600  1.0
  Zn  Zn7  1  0.95037500  0.95037500  0.41788500  1.0
  Zn  Zn8  1  0.12500000  0.62500000  0.62500000  1.0
  Zn  Zn9  1  0.38638400  0.11361600  0.11361600  1.0
  Zn  Zn10  1  0.62500000  0.12500000  0.62500000  1.0
  Zn  Zn11  1  0.56863600  0.29962500  0.83211500  1.0
  Zn  Zn12  1  0.95037500  0.41788500  0.68136400  1.0
  Zn  Zn13  1  0.11361600  0.38638400  0.11361600  1.0
  Zn  Zn14  1  0.29962500  0.83211500  0.56863600  1.0
  Zn  Zn15  1  0.41788500  0.68136400  0.95037500  1.0
  Zn  Zn16  1  0.38638400  0.38638400  0.11361600  1.0
  Zn  Zn17  1  0.13638400  0.86361600  0.86361600  1.0
  Zn  Zn18  1  0.83211500  0.56863600  0.29962500  1.0
  Zn  Zn19  1  0.56863600  0.29962500  0.29962500  1.0
  Zn  Zn20  1  0.56863600  0.83211500  0.29962500  1.0
  Zn  Zn21  1  0.38638400  0.11361600  0.38638400  1.0
  Zn  Zn22  1  0.83211500  0.29962500  0.56863600  1.0
  Zn  Zn23  1  0.29962500  0.56863600  0.29962500  1.0
  Zn  Zn24  1  0.68136400  0.95037500  0.95037500  1.0
  Zn  Zn25  1  0.86361600  0.86361600  0.13638400  1.0
  Zn  Zn26  1  0.62500000  0.62500000  0.12500000  1.0
  Zn  Zn27  1  0.11361600  0.11361600  0.38638400  1.0
  Zn  Zn28  1  0.86361600  0.13638400  0.13638400  1.0
  Zn  Zn29  1  0.95037500  0.95037500  0.68136400  1.0
  Zn  Zn30  1  0.68136400  0.41788500  0.95037500  1.0
  Zn  Zn31  1  0.13638400  0.13638400  0.86361600  1.0
  Zn  Zn32  1  0.62500000  0.62500000  0.62500000  1.0
  Zn  Zn33  1  0.95037500  0.68136400  0.41788500  1.0
  Zn  Zn34  1  0.68136400  0.95037500  0.41788500  1.0
  Zn  Zn35  1  0.11361600  0.38638400  0.38638400  1.0
  Zn  Zn36  1  0.86361600  0.13638400  0.86361600  1.0
  Zn  Zn37  1  0.83211500  0.29962500  0.29962500  1.0
  Zn  Zn38  1  0.13638400  0.86361600  0.13638400  1.0
  Zn  Zn39  1  0.41788500  0.95037500  0.68136400  1.0
  Zn  Zn40  1  0.29962500  0.83211500  0.29962500  1.0
  Zn  Zn41  1  0.41788500  0.95037500  0.95037500  1.0
  Ru  Ru42  1  0.12500000  0.62500000  0.12500000  1.0
  Ru  Ru43  1  0.12500000  0.12500000  0.62500000  1.0
  Ru  Ru44  1  0.12500000  0.12500000  0.12500000  1.0
  Ru  Ru45  1  0.62500000  0.12500000  0.12500000  1.0

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