Ho20In3Ga8Pb

高熵材料 HEA

MP-ID: mp-3293794 · Space group: P422 (#89)

Materials Project API

Basic Information

Formula

Ho20In3Ga8Pb

MP-ID

mp-3293794

Elements

Sites

Density

8.7523

g/cm³

Volume

836.32

Å³

Cell a

7.7206

Cell b

7.7206

Cell c

14.0304

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P422

Point Group

422

Crystal System

Tetragonal

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
16.24	5.4593	1.5	(1,1,0)
25.39	3.5076	1.4	(0,0,4)
26.35	3.3821	2.4	(2,0,2)
26.59	3.3527	21.8	(2,1,1)
30.29	2.9510	27.9	(1,1,4)
32.23	2.7778	100.0	(2,1,3)
32.81	2.7296	16.2	(2,2,0)
34.55	2.5960	46.2	(2,0,4)
36.81	2.4415	57.9	(3,1,0)
38.50	2.3384	8.7	(0,0,6)
41.47	2.1776	7.1	(2,1,5)
41.94	2.1542	2.2	(2,2,4)
42.03	2.1495	2.0	(1,1,6)
42.72	2.1168	1.3	(3,2,1)
45.34	2.0001	2.1	(2,0,6)
46.65	1.9469	1.8	(3,2,3)
47.08	1.9302	1.1	(4,0,0)
49.08	1.8561	8.7	(4,1,1)
50.13	1.8198	4.3	(3,3,0)
52.15	1.7538	7.4	(0,0,8)
52.65	1.7384	15.5	(4,1,3)
52.81	1.7334	12.6	(2,1,7)
53.05	1.7264	9.0	(4,2,0)
54.24	1.6910	8.3	(4,0,4)

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Energy Properties

Formation Energy/atom

-0.60825

eV/atom

Energy/atom

-27.89544

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.8954

eV/atom

Volume/atom

26.14

Å³

c/a Ratio

1.8173

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4903

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000590

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

0.9705

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0691

J/mol·K

Ω Parameter

7.7076

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.376%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3114

smaller = more stable mixing

VEC

8.031

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.276

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7001

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkmk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293794

Reference Citation

The crystal structure and related material properties of Ho20In3Ga8Pb were obtained from the Materials Project database (MP-ID: mp-3293794, 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_Ho20In3Ga8Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72060040
_cell_length_b   7.72060040
_cell_length_c   14.03042446
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho20In3Ga8Pb
_chemical_formula_sum   'Ho20 In3 Ga8 Pb1'
_cell_volume   836.32091919
_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  0.00000000  0.50000000  0.75786580  1.0
  Ho  Ho1  1  0.00000000  0.50000000  0.24494824  1.0
  Ho  Ho2  1  0.50000000  0.00000000  0.24604622  1.0
  Ho  Ho3  1  0.50000000  0.00000000  0.75066170  1.0
  Ho  Ho4  1  0.66474938  0.66586660  0.60740687  1.0
  Ho  Ho5  1  0.66486319  0.33571371  0.10588373  1.0
  Ho  Ho6  1  0.83228296  0.83678756  0.39276030  1.0
  Ho  Ho7  1  0.16587856  0.83673256  0.89397847  1.0
  Ho  Ho8  1  0.33525062  0.33413340  0.60740687  1.0
  Ho  Ho9  1  0.33513681  0.66428629  0.10588373  1.0
  Ho  Ho10  1  0.16771704  0.16321244  0.39276030  1.0
  Ho  Ho11  1  0.83412144  0.16326744  0.89397847  1.0
  Ho  Ho12  1  0.66321244  0.33228296  0.39276030  1.0
  Ho  Ho13  1  0.33673256  0.33412144  0.89397847  1.0
  Ho  Ho14  1  0.16586660  0.83525062  0.60740687  1.0
  Ho  Ho15  1  0.83571371  0.83513681  0.10588373  1.0
  Ho  Ho16  1  0.33678756  0.66771704  0.39276030  1.0
  Ho  Ho17  1  0.66326744  0.66587856  0.89397847  1.0
  Ho  Ho18  1  0.83413340  0.16474938  0.60740687  1.0
  Ho  Ho19  1  0.16428629  0.16486319  0.10588373  1.0
  In  In20  1  0.00000000  0.50000000  0.99980133  1.0
  In  In21  1  0.50000000  0.00000000  0.50069977  1.0
  In  In22  1  0.50000000  0.00000000  0.00035536  1.0
  Ga  Ga23  1  0.87457174  0.87356503  0.74928398  1.0
  Ga  Ga24  1  0.87469207  0.12636771  0.25073807  1.0
  Ga  Ga25  1  0.62636771  0.62530793  0.25073807  1.0
  Ga  Ga26  1  0.37356503  0.62542826  0.74928398  1.0
  Ga  Ga27  1  0.12542826  0.12643497  0.74928398  1.0
  Ga  Ga28  1  0.12530793  0.87363229  0.25073807  1.0
  Ga  Ga29  1  0.37363229  0.37469207  0.25073807  1.0
  Ga  Ga30  1  0.62643497  0.37457174  0.74928398  1.0
  Pb  Pb31  1  0.00000000  0.50000000  0.49941490  1.0

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