Yb2Ho2TmRu2

High-Entropy Materials HEA

MP-ID: mp-3295731 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Yb2Ho2TmRu2

MP-ID

mp-3295731

Elements

Sites

Density

9.9494

g/cm³

Volume

349.49

Å³

Cell a

6.3402

Cell b

7.1162

Cell c

8.4328

α Angle

97.01

β Angle

112.08

γ Angle

90.00

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

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
11.42	7.7461	5.5	(0,0,1)
15.10	5.8678	5.0	(1,0,-1)
20.16	4.4044	33.6	(1,-1,-1)
22.96	3.8731	1.7	(0,0,2)
24.42	3.6457	2.3	(1,1,-2)
25.25	3.5271	4.4	(0,2,0)
26.35	3.3825	2.9	(0,2,-1)
26.70	3.3388	7.0	(1,-1,-2)
26.70	3.3388	7.0	(1,1,1)
28.15	3.1701	9.8	(2,0,-1)
28.88	3.0919	77.3	(1,-2,0)
29.17	3.0614	38.1	(0,2,1)
30.21	2.9585	35.2	(1,-2,-1)
30.93	2.8915	76.0	(2,-1,-1)
30.93	2.8915	76.0	(2,1,-1)
31.99	2.7977	81.6	(0,2,-2)
32.06	2.7919	82.5	(1,2,-2)
32.15	2.7838	100.0	(1,0,-3)
32.15	2.7838	100.0	(1,0,2)
32.46	2.7582	33.9	(2,1,-2)
32.46	2.7582	33.9	(2,-1,0)
33.17	2.7009	20.5	(1,1,-3)
33.17	2.7009	20.5	(1,-1,2)
33.67	2.6623	50.5	(2,-1,-2)

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Energy Properties

Formation Energy/atom

-0.41280

eV/atom

Energy/atom

-32.52588

eV/atom

Energy above Hull

0.0018

eV/atom

Uncorrected Energy

-32.5259

eV/atom

Volume/atom

24.96

Å³

c/a Ratio

1.3301

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.286

Element Family

Lanthanide

Solute Fraction

0.714

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3518

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.2387

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

0.4634

smaller = more stable mixing

VEC

11.286

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9751

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnix

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295731

Reference Citation

The crystal structure and related material properties of Yb2Ho2TmRu2 were obtained from the Materials Project database (MP-ID: mp-3295731, 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_Yb2Ho2TmRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34020655
_cell_length_b   7.11617786
_cell_length_c   8.43278186
_cell_angle_alpha   97.01337238
_cell_angle_beta   112.08157937
_cell_angle_gamma   90.00000623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2Ho2TmRu2
_chemical_formula_sum   'Yb4 Ho4 Tm2 Ru4'
_cell_volume   349.48882121
_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
  Yb  Yb0  1  0.79790817  0.08312153  0.81749407  1.0
  Yb  Yb1  1  0.98041311  0.41687847  0.18250593  1.0
  Yb  Yb2  1  0.20209183  0.91687847  0.18250593  1.0
  Yb  Yb3  1  0.01958689  0.58312153  0.81749407  1.0
  Ho  Ho4  1  0.20147486  0.18585960  0.56970645  1.0
  Ho  Ho5  1  0.63176941  0.31414040  0.43029355  1.0
  Ho  Ho6  1  0.79852514  0.81414040  0.43029355  1.0
  Ho  Ho7  1  0.36823059  0.68585960  0.56970645  1.0
  Tm  Tm8  1  0.43497823  0.25000000  0.00000000  1.0
  Tm  Tm9  1  0.56502177  0.75000000  1.00000000  1.0
  Ru  Ru10  1  0.59272655  0.42745911  0.77202697  1.0
  Ru  Ru11  1  0.82069858  0.07254089  0.22797303  1.0
  Ru  Ru12  1  0.40727345  0.57254089  0.22797303  1.0
  Ru  Ru13  1  0.17930142  0.92745911  0.77202697  1.0

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