Yb2Ho2LuRu2

高熵材料 HEA

MP-ID: mp-3295773 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Yb2Ho2LuRu2

MP-ID

mp-3295773

Elements

Sites

Density

10.0807

g/cm³

Volume

346.93

Å³

Cell a

6.3387

Cell b

7.0922

Cell c

8.4051

α Angle

96.99

β Angle

112.15

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
11.47	7.7171	5.3	(0,0,1)
15.11	5.8635	2.2	(1,0,-1)
15.11	5.8635	2.2	(1,0,0)
20.20	4.3963	20.5	(1,-1,-1)
24.48	3.6362	1.6	(1,1,-2)
25.34	3.5153	3.1	(0,2,0)
26.44	3.3706	1.8	(0,2,-1)
26.77	3.3302	8.5	(1,-1,-2)
28.16	3.1694	6.2	(2,0,-1)
28.96	3.0837	50.7	(1,2,-1)
29.27	3.0513	24.5	(0,2,1)
30.29	2.9507	23.9	(1,2,0)
30.95	2.8894	100.0	(2,1,-1)
32.11	2.7874	54.0	(0,2,-2)
32.16	2.7836	50.5	(1,2,-2)
32.26	2.7753	64.2	(1,0,-3)
32.26	2.7753	64.2	(1,0,2)
32.50	2.7552	22.2	(2,1,-2)
32.50	2.7552	22.2	(2,-1,0)
33.28	2.6924	26.6	(1,1,-3)
33.71	2.6592	64.6	(2,-1,-2)
34.88	2.5724	15.0	(0,0,3)
35.70	2.5148	55.4	(1,-2,-2)
36.17	2.4831	60.6	(1,-1,-3)

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Energy Properties

Formation Energy/atom

-0.41958

eV/atom

Energy/atom

-32.95535

eV/atom

Energy above Hull

0.0010

eV/atom

Uncorrected Energy

-32.9554

eV/atom

Volume/atom

24.78

Å³

c/a Ratio

1.3260

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.286

Element Family

Lanthanide

Solute Fraction

0.714

Interstitial Fraction

0.000

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

0.4621

smaller = more stable mixing

VEC

9.714

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)

aaahfnkn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295773

Reference Citation

The crystal structure and related material properties of Yb2Ho2LuRu2 were obtained from the Materials Project database (MP-ID: mp-3295773, 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_Yb2Ho2LuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33872727
_cell_length_b   7.09221095
_cell_length_c   8.40506870
_cell_angle_alpha   96.99291753
_cell_angle_beta   112.15279218
_cell_angle_gamma   89.99999656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2Ho2LuRu2
_chemical_formula_sum   'Yb4 Ho4 Lu2 Ru4'
_cell_volume   346.92549171
_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  0.52113199  0.08275438  0.81879415  1.0
  Yb  Yb1  1  0.47886801  0.91724562  0.18120585  1.0
  Yb  Yb2  1  0.70233684  0.41724562  0.18120585  1.0
  Yb  Yb3  1  0.29766316  0.58275438  0.81879415  1.0
  Ho  Ho4  1  0.29914035  0.31291703  0.43007100  1.0
  Ho  Ho5  1  0.70085965  0.68708297  0.56992900  1.0
  Ho  Ho6  1  0.86907035  0.18708297  0.56992900  1.0
  Ho  Ho7  1  0.13092965  0.81291703  0.43007100  1.0
  Lu  Lu8  1  0.06468126  0.25000000  1.00000000  1.0
  Lu  Lu9  1  0.93531874  0.75000000  0.00000000  1.0
  Ru  Ru10  1  0.31935874  0.57133249  0.22634462  1.0
  Ru  Ru11  1  0.68064126  0.42866751  0.77365538  1.0
  Ru  Ru12  1  0.09301413  0.92866751  0.77365538  1.0
  Ru  Ru13  1  0.90698587  0.07133249  0.22634462  1.0

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