Ho12Co4PtPb

高熵材料 HEA

MP-ID: mp-3294179 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ho12Co4PtPb

MP-ID

mp-3294179

Elements

Sites

Density

9.9979

g/cm³

Volume

434.68

Å³

Cell a

8.2688

Cell b

8.2688

Cell c

8.2688

α Angle

111.07

β Angle

110.14

γ Angle

107.23

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
13.07	6.7718	2.1	(0,1,0)
13.30	6.6562	1.3	(0,0,1)
18.08	4.9052	1.5	(1,1,-1)
18.74	4.7344	2.2	(1,-1,1)
18.96	4.6795	2.5	(1,-1,-1)
22.52	3.9488	4.3	(2,0,-1)
26.32	3.3859	1.3	(0,2,0)
26.32	3.3859	1.3	(2,0,-2)
28.89	3.0910	11.0	(1,2,-2)
28.92	3.0871	6.8	(1,2,-1)
28.92	3.0871	6.8	(2,1,-2)
29.73	3.0046	22.3	(1,-2,2)
29.88	2.9907	1.8	(1,-1,2)
30.06	2.9730	5.2	(1,-2,-1)
30.16	2.9630	38.0	(1,-1,-2)
32.51	2.7541	100.0	(1,1,-3)
32.51	2.7540	33.3	(3,-1,-1)
34.69	2.5859	3.3	(0,3,-2)
34.69	2.5859	1.1	(3,0,-1)
34.78	2.5791	20.9	(0,3,-1)
34.78	2.5791	20.9	(2,1,-3)
35.14	2.5535	60.6	(1,-3,2)
35.51	2.5283	23.1	(1,0,2)
35.66	2.5177	22.2	(0,1,2)

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Energy Properties

Formation Energy/atom

-0.38239

eV/atom

Energy/atom

-31.23161

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.2316

eV/atom

Volume/atom

24.15

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1186

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000270

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

13.7520

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.186%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3908

smaller = more stable mixing

VEC

10.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.949

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6678

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflbf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294179

Reference Citation

The crystal structure and related material properties of Ho12Co4PtPb were obtained from the Materials Project database (MP-ID: mp-3294179, 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_Ho12Co4PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26876881
_cell_length_b   8.26876918
_cell_length_c   8.26876900
_cell_angle_alpha   111.06749152
_cell_angle_beta   110.14239573
_cell_angle_gamma   107.22819456
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho12Co4PtPb
_chemical_formula_sum   'Ho12 Co4 Pt1 Pb1'
_cell_volume   434.68447580
_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  0.31394447  0.61856396  0.30461849  1.0
  Ho  Ho1  1  0.68605553  0.38143604  0.69538151  1.0
  Ho  Ho2  1  0.31394447  0.00932498  0.69538151  1.0
  Ho  Ho3  1  0.68605553  0.99067502  0.30461849  1.0
  Ho  Ho4  1  0.18410360  0.29106450  0.47516910  1.0
  Ho  Ho5  1  0.81589640  0.70893550  0.52483090  1.0
  Ho  Ho6  1  0.18410360  0.70893550  0.89304011  1.0
  Ho  Ho7  1  0.81589640  0.29106450  0.10695989  1.0
  Ho  Ho8  1  0.41142171  0.21092583  0.20049588  1.0
  Ho  Ho9  1  0.58857829  0.78907417  0.79950412  1.0
  Ho  Ho10  1  0.01042995  0.21092583  0.79950412  1.0
  Ho  Ho11  1  0.98957005  0.78907417  0.20049588  1.0
  Co  Co12  1  0.11017219  0.61017219  0.50000000  1.0
  Co  Co13  1  0.88982781  0.38982781  0.50000000  1.0
  Co  Co14  1  0.38263464  0.00000000  0.38263464  1.0
  Co  Co15  1  0.61736536  1.00000000  0.61736536  1.0
  Pt  Pt16  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb17  1  0.50000000  0.50000000  0.00000000  1.0

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