Y8Er2OsRu3

High-Entropy Materials HEA

MP-ID: mp-3295755 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Y8Er2OsRu3

MP-ID

mp-3295755

Elements

Sites

Density

7.0835

g/cm³

Volume

360.82

Å³

Cell a

6.3557

Cell b

7.2847

Cell c

8.4712

α Angle

96.71

β Angle

111.96

γ Angle

90.08

Space Group

Point Group

Crystal System

Triclinic

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
11.35	7.7933	99.1	(0,0,1)
12.25	7.2261	8.4	(0,1,0)
15.05	5.8874	61.4	(1,0,0)
15.06	5.8830	29.4	(1,0,-1)
15.63	5.6687	5.1	(0,1,-1)
17.76	4.9930	3.7	(0,1,1)
18.97	4.6780	14.3	(1,-1,0)
19.00	4.6699	9.7	(1,1,-1)
19.90	4.4617	43.2	(1,-1,-1)
19.91	4.4585	47.2	(1,1,0)
22.09	4.0246	9.5	(1,0,1)
22.82	3.8967	6.4	(0,0,2)
24.23	3.6739	26.2	(1,-1,1)
24.27	3.6679	25.8	(1,1,-2)
24.54	3.6270	1.5	(0,1,-2)
24.64	3.6131	4.7	(0,2,0)
26.39	3.3770	2.4	(1,1,1)
28.34	3.1490	40.5	(1,-2,0)
28.38	3.1448	32.5	(1,2,-1)
29.61	3.0168	31.8	(1,-2,-1)
29.64	3.0142	12.0	(1,2,0)
30.36	2.9437	1.2	(2,0,0)
30.39	2.9415	2.3	(2,0,-2)
30.72	2.9104	47.3	(2,-1,-1)

Get direct link

Energy Properties

Formation Energy/atom

-0.33665

eV/atom

Energy/atom

-26.02368

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.0237

eV/atom

Volume/atom

25.77

Å³

c/a Ratio

1.3329

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0032

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

Y · 0.571

Element Family

4d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

0.6685

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.206%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4410

smaller = more stable mixing

VEC

5.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-28.882

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnjv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295755

Reference Citation

The crystal structure and related material properties of Y8Er2OsRu3 were obtained from the Materials Project database (MP-ID: mp-3295755, 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_Y8Er2OsRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35565925
_cell_length_b   7.28472599
_cell_length_c   8.47121616
_cell_angle_alpha   96.71113139
_cell_angle_beta   111.96109702
_cell_angle_gamma   90.08429019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y8Er2OsRu3
_chemical_formula_sum   'Y8 Er2 Os1 Ru3'
_cell_volume   360.82402700
_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  0.79370937  0.58457374  0.81369370  1.0
  Y  Y1  1  0.97634374  0.91294055  0.18204806  1.0
  Y  Y2  1  0.20578035  0.41371297  0.18544416  1.0
  Y  Y3  1  0.02258643  0.08660759  0.81464624  1.0
  Y  Y4  1  0.20887168  0.68495579  0.56949818  1.0
  Y  Y5  1  0.63966539  0.81832716  0.43341437  1.0
  Y  Y6  1  0.79263550  0.31611442  0.43085701  1.0
  Y  Y7  1  0.35857688  0.18256133  0.56754010  1.0
  Er  Er8  1  0.42350843  0.75050330  0.99982772  1.0
  Er  Er9  1  0.57703258  0.24950410  0.99964632  1.0
  Os  Os10  1  0.60423068  0.92419539  0.78446134  1.0
  Ru  Ru11  1  0.82060390  0.57527909  0.21888130  1.0
  Ru  Ru12  1  0.39610960  0.07606367  0.21745716  1.0
  Ru  Ru13  1  0.18034448  0.42465890  0.78258534  1.0

Get direct link