YbDy2ErNi8

High-Entropy Materials HEA

MP-ID: mp-3294859 · Space group: R3m (#160)

Materials Project API

Basic Information

Formula

YbDy2ErNi8

MP-ID

mp-3294859

Elements

Sites

Density

10.8456

g/cm³

Volume

173.75

Å³

Cell a

4.9688

Cell b

4.9705

Cell c

8.6118

α Angle

73.28

β Angle

90.00

γ Angle

119.99

Space Group

R3m

Point Group

Crystal System

Trigonal

Bravais Lattice

Stability

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
21.88	4.0614	16.1	(0,0,2)
21.89	4.0606	16.3	(0,1,0)
21.91	4.0572	32.5	(1,-1,-1)
36.10	2.4879	49.6	(0,1,-2)
36.14	2.4856	99.0	(1,-1,-3)
36.14	2.4853	100.0	(1,-2,-1)
36.16	2.4844	50.0	(2,-1,0)
42.63	2.1210	38.1	(1,-1,3)
42.63	2.1210	38.1	(1,0,-3)
42.63	2.1208	76.4	(1,-2,1)
42.66	2.1196	38.0	(0,1,4)
42.66	2.1193	76.3	(2,-1,2)
42.66	2.1193	38.3	(0,2,2)
42.66	2.1192	38.3	(2,-2,0)
42.66	2.1192	38.3	(2,0,0)
42.67	2.1189	76.3	(1,-2,-3)
44.62	2.0307	17.1	(0,0,4)
44.63	2.0303	17.1	(0,2,0)
44.67	2.0286	34.1	(2,-2,-2)
52.02	1.7580	1.8	(2,-2,2)
57.05	1.6143	1.3	(0,1,-4)
57.06	1.6142	1.4	(0,2,-2)
57.09	1.6133	2.7	(1,0,5)
57.10	1.6130	1.4	(1,-3,-1)

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Energy Properties

Formation Energy/atom

-0.44159

eV/atom

Energy/atom

-19.63094

eV/atom

Energy above Hull

0.0028

eV/atom

Uncorrected Energy

-19.6309

eV/atom

Volume/atom

14.48

Å³

c/a Ratio

1.7332

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0045

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.667

Element Family

3d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9831

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1734

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.051%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3386

smaller = more stable mixing

VEC

10.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7091

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmbj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294859

Reference Citation

The crystal structure and related material properties of YbDy2ErNi8 were obtained from the Materials Project database (MP-ID: mp-3294859, 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_YbDy2ErNi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96877172
_cell_length_b   4.97051599
_cell_length_c   8.61177653
_cell_angle_alpha   73.27785465
_cell_angle_beta   90.00000001
_cell_angle_gamma   119.98839867
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbDy2ErNi8
_chemical_formula_sum   'Yb1 Dy2 Er1 Ni8'
_cell_volume   173.75285068
_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
  Yb  Yb0  1  0.87358085  0.74716070  0.37895918  1.0
  Dy  Dy1  1  0.99737661  0.99475322  0.00781748  1.0
  Dy  Dy2  1  0.50234126  0.00468251  0.49260494  1.0
  Er  Er3  1  0.37628357  0.75256915  0.87120610  1.0
  Ni  Ni4  1  0.43629538  0.37677171  0.18706556  1.0
  Ni  Ni5  1  0.93746642  0.37425213  0.68818880  1.0
  Ni  Ni6  1  0.43637210  0.87274519  0.18700620  1.0
  Ni  Ni7  1  0.93754926  0.87509953  0.68825425  1.0
  Ni  Ni8  1  0.18789478  0.37579156  0.43621728  1.0
  Ni  Ni9  1  0.68757673  0.37515245  0.93742485  1.0
  Ni  Ni10  1  0.94047533  0.37677171  0.18706556  1.0
  Ni  Ni11  1  0.43678471  0.37425213  0.68818880  1.0

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