Ho12Co4PdPb

高熵材料 HEA

MP-ID: mp-3294038 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ho12Co4PdPb

MP-ID

mp-3294038

Elements

Sites

Density

9.6437

g/cm³

Volume

435.38

Å³

Cell a

8.2727

Cell b

8.2727

Cell c

8.2727

α Angle

110.96

β Angle

110.05

γ Angle

107.42

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
22.53	3.9466	1.2	(1,1,-2)
22.89	3.8844	1.1	(2,-1,0)
26.32	3.3862	1.6	(2,0,-2)
26.32	3.3862	1.6	(0,2,0)
26.74	3.3338	1.5	(0,0,2)
28.93	3.0866	6.4	(1,2,-2)
28.96	3.0828	15.3	(2,1,-2)
29.70	3.0084	22.1	(1,-2,2)
29.83	2.9956	1.2	(1,-1,2)
29.83	2.9956	1.2	(2,-2,1)
30.01	2.9773	3.4	(2,-1,-2)
30.11	2.9683	27.0	(1,-1,-2)
32.49	2.7557	100.0	(3,-1,-1)
34.71	2.5846	1.9	(0,3,-2)
34.80	2.5780	10.0	(2,1,-3)
34.80	2.5780	30.1	(3,0,-2)
35.12	2.5553	43.3	(0,2,-3)
35.45	2.5319	14.2	(0,1,-3)
35.61	2.5215	24.3	(1,0,-3)
36.71	2.4482	12.5	(2,2,-2)
37.95	2.3710	9.3	(2,-2,2)
38.40	2.3439	17.9	(2,-2,-2)
39.20	2.2982	3.5	(2,2,-3)
39.94	2.2574	2.4	(3,0,-3)

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Energy Properties

Formation Energy/atom

-0.32943

eV/atom

Energy/atom

-29.59380

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.5938

eV/atom

Volume/atom

24.19

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.4146

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000950

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9257

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6963

J/mol·K

Ω Parameter

11.8914

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.271%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3822

smaller = more stable mixing

VEC

10.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.090

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6678

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkvu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294038

Reference Citation

The crystal structure and related material properties of Ho12Co4PdPb were obtained from the Materials Project database (MP-ID: mp-3294038, 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_Ho12Co4PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27266418
_cell_length_b   8.27266375
_cell_length_c   8.27266527
_cell_angle_alpha   110.96302018
_cell_angle_beta   110.05188138
_cell_angle_gamma   107.41939939
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho12Co4PdPb
_chemical_formula_sum   'Ho12 Co4 Pd1 Pb1'
_cell_volume   435.38123776
_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
  Ho  Ho0  1  0.31348175  0.61733455  0.30385280  1.0
  Ho  Ho1  1  0.68651825  0.38266545  0.69614720  1.0
  Ho  Ho2  1  0.31348175  0.00962795  0.69614720  1.0
  Ho  Ho3  1  0.68651825  0.99037205  0.30385280  1.0
  Ho  Ho4  1  0.18562754  0.29421902  0.47984656  1.0
  Ho  Ho5  1  0.81437246  0.70578098  0.52015344  1.0
  Ho  Ho6  1  0.18562754  0.70578098  0.89140853  1.0
  Ho  Ho7  1  0.81437246  0.29421902  0.10859147  1.0
  Ho  Ho8  1  0.41080317  0.20909876  0.20170541  1.0
  Ho  Ho9  1  0.58919683  0.79090124  0.79829459  1.0
  Ho  Ho10  1  0.00739435  0.20909876  0.79829459  1.0
  Ho  Ho11  1  0.99260565  0.79090124  0.20170541  1.0
  Co  Co12  1  0.11078975  0.61078975  0.50000000  1.0
  Co  Co13  1  0.88921025  0.38921025  0.50000000  1.0
  Co  Co14  1  0.38300150  1.00000000  0.38300150  1.0
  Co  Co15  1  0.61699850  0.00000000  0.61699850  1.0
  Pd  Pd16  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb17  1  0.50000000  0.50000000  0.00000000  1.0

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