Y5Er15(Cd3Ru)2

High-Entropy Materials HEA

MP-ID: mp-3295042 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Y5Er15(Cd3Ru)2

MP-ID

mp-3295042

Elements

Sites

Density

8.3627

g/cm³

Volume

760.51

Å³

Cell a

9.5067

Cell b

9.5067

Cell c

9.7074

α Angle

90.00

β Angle

90.00

γ Angle

119.91

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
9.11	9.7074	1.0	(0,0,0,1)
10.74	8.2408	1.9	(1,0,-1,0)
10.75	8.2292	6.7	(1,-1,0,0)
14.10	6.2824	21.0	(1,0,-1,1)
14.11	6.2772	9.2	(1,-1,0,1)
18.28	4.8537	2.0	(0,0,0,2)
18.64	4.7601	2.7	(1,1,-2,0)
18.67	4.7534	1.7	(2,-1,-1,0)
21.24	4.1822	2.2	(1,0,-1,2)
21.57	4.1204	3.7	(2,0,-2,0)
21.60	4.1146	2.0	(2,-2,0,0)
23.48	3.7883	1.2	(2,-2,0,1)
28.41	3.1412	11.8	(2,0,-2,2)
28.44	3.1386	5.4	(2,-2,0,2)
28.65	3.1160	22.3	(2,1,-3,0)
28.68	3.1129	27.2	(3,-1,-2,0)
28.70	3.1110	24.7	(3,-2,-1,0)
29.66	3.0119	46.4	(1,0,-1,3)
29.67	3.0114	23.7	(1,-1,0,3)
30.15	2.9642	1.4	(3,-1,-2,1)
30.17	2.9626	1.5	(3,-2,-1,1)
32.60	2.7469	21.4	(3,0,-3,0)
32.65	2.7431	9.8	(3,-3,0,0)
33.92	2.6432	97.6	(3,0,-3,1)

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Energy Properties

Formation Energy/atom

-0.30519

eV/atom

Energy/atom

-28.23120

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.2312

eV/atom

Volume/atom

27.16

Å³

c/a Ratio

1.0211

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.0868

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.004060

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.536

Element Family

Lanthanide

Solute Fraction

0.464

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1606

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6493

J/mol·K

Ω Parameter

2.7067

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.351%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2885

smaller = more stable mixing

VEC

10.107

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.704

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8372

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmik

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295042

Reference Citation

The crystal structure and related material properties of Y5Er15(Cd3Ru)2 were obtained from the Materials Project database (MP-ID: mp-3295042, 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_Y5Er15(Cd3Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.50672149
_cell_length_b   9.50672166
_cell_length_c   9.70740530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.90626307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Er15(Cd3Ru)2
_chemical_formula_sum   'Y5 Er15 Cd6 Ru2'
_cell_volume   760.50974704
_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  0.54104988  0.08244353  0.25000000  1.0
  Y  Y1  1  0.91755647  0.45895012  0.25000000  1.0
  Y  Y2  1  0.45908796  0.54091204  0.75000000  1.0
  Y  Y3  1  0.45945610  0.91947504  0.75000000  1.0
  Y  Y4  1  0.08052496  0.54054390  0.75000000  1.0
  Er  Er5  1  0.00010932  0.99989068  0.49999468  1.0
  Er  Er6  1  0.00010932  0.99989068  0.00000532  1.0
  Er  Er7  1  0.21018167  0.78981833  0.43909119  1.0
  Er  Er8  1  0.21049153  0.41963619  0.43867498  1.0
  Er  Er9  1  0.58036381  0.78950847  0.43867498  1.0
  Er  Er10  1  0.79014389  0.20985611  0.56095459  1.0
  Er  Er11  1  0.78892907  0.57955826  0.56020977  1.0
  Er  Er12  1  0.42044174  0.21107093  0.56020977  1.0
  Er  Er13  1  0.79014389  0.20985611  0.93904541  1.0
  Er  Er14  1  0.78892907  0.57955826  0.93979023  1.0
  Er  Er15  1  0.42044174  0.21107093  0.93979023  1.0
  Er  Er16  1  0.21018167  0.78981833  0.06090881  1.0
  Er  Er17  1  0.21049153  0.41963619  0.06132502  1.0
  Er  Er18  1  0.58036381  0.78950847  0.06132502  1.0
  Er  Er19  1  0.53993482  0.46006518  0.25000000  1.0
  Cd  Cd20  1  0.88610205  0.11389795  0.25000000  1.0
  Cd  Cd21  1  0.88401307  0.77071957  0.25000000  1.0
  Cd  Cd22  1  0.22928043  0.11598693  0.25000000  1.0
  Cd  Cd23  1  0.11358933  0.88641067  0.75000000  1.0
  Cd  Cd24  1  0.11428784  0.22740448  0.75000000  1.0
  Cd  Cd25  1  0.77259552  0.88571216  0.75000000  1.0
  Ru  Ru26  1  0.33400413  0.66599587  0.25000000  1.0
  Ru  Ru27  1  0.66719440  0.33280560  0.75000000  1.0

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