Y2Ho10Tc3Pd

高熵材料 HEA

MP-ID: mp-3295816 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Y2Ho10Tc3Pd

MP-ID

mp-3295816

Elements

Sites

Density

8.7611

g/cm³

Volume

422.20

Å³

Cell a

6.2655

Cell b

7.3697

Cell c

9.1435

α Angle

90.00

β Angle

90.00

γ Angle

90.02

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

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
9.67	9.1435	14.0	(0,0,1)
14.14	6.2654	2.8	(1,0,0)
17.16	5.1685	9.2	(1,0,1)
18.58	4.7744	8.9	(1,-1,0)
18.59	4.7726	7.4	(1,1,0)
20.99	4.2322	4.5	(1,-1,1)
21.00	4.2309	4.5	(1,1,1)
24.15	3.6849	5.7	(0,2,0)
26.07	3.4178	7.3	(0,2,1)
27.00	3.3021	7.1	(1,-1,2)
27.01	3.3014	5.3	(1,1,2)
28.09	3.1768	17.5	(1,-2,0)
28.10	3.1757	15.5	(1,2,0)
28.49	3.1327	3.3	(2,0,0)
29.77	3.0008	21.6	(1,-2,1)
29.78	2.9999	26.5	(1,2,1)
31.01	2.8835	35.1	(2,-1,0)
31.02	2.8827	37.1	(2,1,0)
31.18	2.8690	76.3	(0,2,2)
32.56	2.7500	46.1	(2,-1,1)
32.57	2.7493	41.8	(2,1,1)
32.67	2.7408	100.0	(1,0,3)
34.38	2.6088	42.9	(1,-2,2)
34.38	2.6082	45.9	(1,2,2)

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Energy Properties

Formation Energy/atom

-0.22396

eV/atom

Energy/atom

-29.61740

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.6174

eV/atom

Volume/atom

26.39

Å³

c/a Ratio

1.4594

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0015

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

Ho · 0.625

Element Family

Lanthanide

Solute Fraction

0.375

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0408

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6535

J/mol·K

Ω Parameter

7.1251

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.585%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3298

smaller = more stable mixing

VEC

8.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.281

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7508

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnme

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295816

Reference Citation

The crystal structure and related material properties of Y2Ho10Tc3Pd were obtained from the Materials Project database (MP-ID: mp-3295816, 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

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Raw CIF Data

# generated using pymatgen
data_Y2Ho10Tc3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26544508
_cell_length_b   7.36969795
_cell_length_c   9.14353035
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.02227858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Ho10Tc3Pd
_chemical_formula_sum   'Y2 Ho10 Tc3 Pd1'
_cell_volume   422.19734092
_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
  Y  Y0  1  0.62450235  0.04526362  0.25000000  1.0
  Y  Y1  1  0.87081151  0.53558280  0.25000000  1.0
  Ho  Ho2  1  0.37117647  0.95453393  0.75000000  1.0
  Ho  Ho3  1  0.12401367  0.46059597  0.75000000  1.0
  Ho  Ho4  1  0.16602793  0.18302743  0.05770997  1.0
  Ho  Ho5  1  0.82986425  0.82496076  0.93005444  1.0
  Ho  Ho6  1  0.66410515  0.32193181  0.93391655  1.0
  Ho  Ho7  1  0.82986425  0.82496076  0.56994556  1.0
  Ho  Ho8  1  0.34167231  0.67060743  0.05876919  1.0
  Ho  Ho9  1  0.16602793  0.18302743  0.44229003  1.0
  Ho  Ho10  1  0.34167231  0.67060743  0.44123081  1.0
  Ho  Ho11  1  0.66410515  0.32193181  0.56608345  1.0
  Tc  Tc12  1  0.45066855  0.38544732  0.25000000  1.0
  Tc  Tc13  1  0.53520491  0.61443120  0.75000000  1.0
  Tc  Tc14  1  0.96737301  0.11403839  0.75000000  1.0
  Pd  Pd15  1  0.05290825  0.88905292  0.25000000  1.0

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