Yb4DyHo5Ru4

高熵材料 HEA

MP-ID: mp-3295361 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Yb4DyHo5Ru4

MP-ID

mp-3295361

Elements

Sites

Density

9.8243

g/cm³

Volume

352.18

Å³

Cell a

6.3542

Cell b

7.1367

Cell c

8.4562

α Angle

96.93

β Angle

112.13

γ Angle

90.03

Space Group

Point Group

Crystal System

Triclinic

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
11.39	7.7661	3.7	(0,0,1)
15.06	5.8836	1.7	(1,0,-1)
15.07	5.8786	1.5	(1,0,0)
20.09	4.4191	18.2	(1,-1,-1)
20.11	4.4146	17.7	(1,1,0)
22.90	3.8831	2.1	(0,0,2)
25.17	3.5379	4.1	(0,2,0)
26.28	3.3907	2.9	(0,2,-1)
26.60	3.3508	7.2	(1,-1,-2)
26.63	3.3470	7.1	(1,1,1)
28.09	3.1771	10.3	(2,0,-1)
28.80	3.1004	37.7	(1,-2,0)
28.80	3.0995	37.7	(1,2,-1)
29.07	3.0720	38.2	(0,2,1)
30.10	2.9686	16.9	(1,-2,-1)
30.13	2.9665	16.8	(1,2,0)
30.84	2.8990	74.4	(2,-1,-1)
30.86	2.8976	74.1	(2,1,-1)
31.92	2.8036	80.8	(0,2,-2)
31.98	2.7983	42.8	(1,2,-2)
31.99	2.7979	42.7	(1,-2,1)
32.06	2.7921	100.0	(1,0,-3)
32.09	2.7895	99.7	(1,0,2)
32.38	2.7646	32.8	(2,1,-2)

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Energy Properties

Formation Energy/atom

-0.40241

eV/atom

Energy/atom

-32.13128

eV/atom

Energy above Hull

0.0029

eV/atom

Uncorrected Energy

-32.1313

eV/atom

Volume/atom

25.16

Å³

c/a Ratio

1.3308

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0055

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.357

Element Family

Lanthanide

Solute Fraction

0.643

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2721

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5762

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.343%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4652

smaller = more stable mixing

VEC

10.929

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9176

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmur

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295361

Reference Citation

The crystal structure and related material properties of Yb4DyHo5Ru4 were obtained from the Materials Project database (MP-ID: mp-3295361, 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_Yb4DyHo5Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35415558
_cell_length_b   7.13673871
_cell_length_c   8.45620975
_cell_angle_alpha   96.92850289
_cell_angle_beta   112.13392930
_cell_angle_gamma   90.02696096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb4DyHo5Ru4
_chemical_formula_sum   'Yb4 Dy1 Ho5 Ru4'
_cell_volume   352.17814517
_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  0.98216354  0.91643553  0.18279723  1.0
  Yb  Yb1  1  0.79895341  0.58356789  0.81708806  1.0
  Yb  Yb2  1  0.01781543  0.08380084  0.81692211  1.0
  Yb  Yb3  1  0.20071422  0.41591248  0.18306217  1.0
  Dy  Dy4  1  0.63349870  0.81449441  0.43120783  1.0
  Ho  Ho5  1  0.20260546  0.68518281  0.56888228  1.0
  Ho  Ho6  1  0.36665920  0.18541518  0.56916933  1.0
  Ho  Ho7  1  0.79812294  0.31487096  0.43102985  1.0
  Ho  Ho8  1  0.43478681  0.74984455  0.99961785  1.0
  Ho  Ho9  1  0.56473394  0.25010227  0.00018855  1.0
  Ru  Ru10  1  0.82375213  0.57315280  0.22941180  1.0
  Ru  Ru11  1  0.59302003  0.92694808  0.77101321  1.0
  Ru  Ru12  1  0.17636354  0.42664988  0.76961398  1.0
  Ru  Ru13  1  0.40681166  0.07362330  0.22999574  1.0

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