Yb8Ho2Ir3Ru

高熵材料 HEA

MP-ID: mp-3295741 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Yb8Ho2Ir3Ru

MP-ID

mp-3295741

Elements

Sites

Density

11.1770

g/cm³

Volume

355.36

Å³

Cell a

6.3909

Cell b

7.2604

Cell c

8.3600

α Angle

97.17

β Angle

112.39

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
11.55	7.6585	26.6	(0,0,1)
12.30	7.1937	3.8	(0,1,0)
15.01	5.9008	12.4	(1,0,0)
15.03	5.8953	2.3	(1,0,-1)
15.72	5.6377	2.3	(0,1,-1)
18.02	4.9216	1.9	(0,1,1)
18.95	4.6842	3.2	(1,-1,0)
18.96	4.6802	1.9	(1,1,-1)
19.96	4.4494	64.9	(1,1,0)
19.96	4.4482	60.0	(1,-1,-1)
22.30	3.9865	4.6	(1,0,-2)
23.23	3.8293	5.4	(0,0,2)
24.33	3.6585	1.8	(1,-1,1)
24.36	3.6540	1.8	(1,1,-2)
24.82	3.5875	1.0	(0,1,-2)
25.90	3.4396	3.1	(0,2,-1)
26.66	3.3432	1.4	(1,1,1)
26.68	3.3407	1.2	(1,-1,-2)
27.92	3.1954	1.2	(2,0,-1)
28.38	3.1453	48.6	(1,-2,0)
28.39	3.1437	41.1	(1,2,-1)
28.81	3.0984	24.5	(0,2,1)
29.76	3.0022	7.9	(1,2,0)
29.76	3.0021	20.5	(1,-2,-1)

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Energy Properties

Formation Energy/atom

-0.69239

eV/atom

Energy/atom

-39.29956

eV/atom

Energy above Hull

0.0043

eV/atom

Uncorrected Energy

-39.2996

eV/atom

Volume/atom

25.38

Å³

c/a Ratio

1.3081

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0116

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.903%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4872

smaller = more stable mixing

VEC

12.071

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnjh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295741

Reference Citation

The crystal structure and related material properties of Yb8Ho2Ir3Ru were obtained from the Materials Project database (MP-ID: mp-3295741, 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_Yb8Ho2Ir3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39086015
_cell_length_b   7.26041564
_cell_length_c   8.36003351
_cell_angle_alpha   97.17429865
_cell_angle_beta   112.39391922
_cell_angle_gamma   90.02676731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb8Ho2Ir3Ru
_chemical_formula_sum   'Yb8 Ho2 Ir3 Ru1'
_cell_volume   355.35818006
_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  0.97090961  0.91868365  0.17211944  1.0
  Yb  Yb1  1  0.79995797  0.57865468  0.82754916  1.0
  Yb  Yb2  1  0.02848255  0.07946618  0.82936275  1.0
  Yb  Yb3  1  0.19613497  0.42077766  0.17237010  1.0
  Yb  Yb4  1  0.63704466  0.81989274  0.43608604  1.0
  Yb  Yb5  1  0.20072912  0.68167776  0.56433511  1.0
  Yb  Yb6  1  0.36154155  0.17975366  0.56273658  1.0
  Yb  Yb7  1  0.79870209  0.32211897  0.43426685  1.0
  Ho  Ho8  1  0.43750362  0.74759105  0.00175208  1.0
  Ho  Ho9  1  0.56505965  0.25157043  0.00087699  1.0
  Ir  Ir10  1  0.60298572  0.92444067  0.78660799  1.0
  Ir  Ir11  1  0.18530061  0.42283518  0.78563452  1.0
  Ir  Ir12  1  0.39608634  0.07660637  0.21308110  1.0
  Ru  Ru13  1  0.81956055  0.57593099  0.21322229  1.0

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