HoPa(CoSi2)2

High-Entropy Materials HEA

MP-ID: mp-3247167 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

HoPa(CoSi2)2

MP-ID

mp-3247167

Elements

Sites

Density

8.2004

g/cm³

Volume

126.80

Å³

Cell a

8.3737

Cell b

8.3737

Cell c

3.9382

α Angle

90.00

β Angle

90.00

γ Angle

152.67

Space Group

Amm2

Point Group

mm2

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
10.87	8.1366	8.7	(1,-1,0)
21.85	4.0683	44.9	(2,-2,0)
22.58	3.9382	1.7	(0,0,1)
23.13	3.8450	31.9	(1,0,0)
25.12	3.5448	44.9	(1,-1,1)
27.91	3.1968	6.6	(2,-1,0)
31.62	2.8296	22.0	(2,-2,1)
32.55	2.7512	76.0	(1,0,1)
33.03	2.7122	5.7	(3,-3,0)
35.72	2.5136	34.2	(3,-2,0)
35.72	2.5136	34.2	(2,-3,0)
36.19	2.4820	100.0	(2,-1,1)
40.38	2.2337	37.2	(3,-3,1)
42.67	2.1188	14.3	(3,-2,1)
44.54	2.0341	3.0	(4,-4,0)
45.86	1.9785	28.4	(1,1,0)
46.10	1.9691	28.0	(0,0,2)
50.50	1.8073	17.5	(4,-4,1)
51.13	1.7864	5.8	(4,-3,1)
51.35	1.7793	9.9	(3,-1,0)
51.57	1.7724	9.8	(2,-2,2)
52.19	1.7526	8.1	(1,0,2)
53.00	1.7276	13.0	(2,0,1)
54.75	1.6766	2.3	(2,-1,2)

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Energy Properties

Formation Energy/atom

-0.74031

eV/atom

Energy/atom

-22.15292

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.1529

eV/atom

Volume/atom

15.85

Å³

c/a Ratio

0.4703

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

0.9983

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.852%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2387

smaller = more stable mixing

VEC

6.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahctnb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247167

Reference Citation

The crystal structure and related material properties of HoPa(CoSi2)2 were obtained from the Materials Project database (MP-ID: mp-3247167, 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_HoPa(CoSi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37364585
_cell_length_b   8.37364557
_cell_length_c   3.93819971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.66587986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoPa(CoSi2)2
_chemical_formula_sum   'Ho1 Pa1 Co2 Si4'
_cell_volume   126.79688638
_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  0.89272517  0.10727483  0.75000000  1.0
  Pa  Pa1  1  0.10986856  0.89013144  0.25000000  1.0
  Co  Co2  1  0.32144448  0.67855552  0.25000000  1.0
  Co  Co3  1  0.67462336  0.32537664  0.75000000  1.0
  Si  Si4  1  0.25119312  0.74880688  0.75000000  1.0
  Si  Si5  1  0.75185397  0.24814603  0.25000000  1.0
  Si  Si6  1  0.53975834  0.46024166  0.75000000  1.0
  Si  Si7  1  0.45853200  0.54146800  0.25000000  1.0

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