Ho5Ta3(Co4P3)4

High-Entropy Materials HEA

MP-ID: mp-3293127 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

Ho5Ta3(Co4P3)4

MP-ID

mp-3293127

Elements

Sites

Density

9.6470

g/cm³

Volume

461.67

Å³

Cell a

12.0572

Cell b

12.0572

Cell c

3.6670

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
14.69	6.0286	1.5	(2,-1,-1,0)
16.98	5.2209	2.9	(2,0,-2,0)
22.53	3.9467	19.2	(3,-1,-2,0)
24.27	3.6670	1.3	(0,0,0,1)
25.75	3.4598	14.3	(1,0,-1,1)
28.49	3.1329	11.4	(2,-1,-1,1)
29.64	3.0143	4.9	(4,-2,-2,0)
29.64	3.0143	9.8	(2,2,-4,0)
29.77	3.0008	2.5	(2,0,-2,1)
29.77	3.0008	1.2	(0,2,-2,1)
30.88	2.8961	3.3	(4,-3,-1,0)
30.88	2.8961	6.6	(4,-1,-3,0)
35.56	2.5245	11.6	(3,0,-3,1)
37.55	2.3955	4.2	(5,-2,-3,0)
37.55	2.3955	2.1	(3,2,-5,0)
38.67	2.3286	100.0	(4,-2,-2,1)
39.55	2.2786	17.9	(5,-1,-4,0)
39.66	2.2727	48.6	(4,-1,-3,1)
43.33	2.0884	2.5	(5,-5,0,0)
43.33	2.0884	5.1	(5,0,-5,0)
45.12	2.0095	8.9	(6,-3,-3,0)
45.99	1.9733	2.0	(6,-2,-4,0)
46.95	1.9354	3.3	(5,-4,-1,1)
46.95	1.9354	6.5	(5,-1,-4,1)

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Energy Properties

Formation Energy/atom

-0.94543

eV/atom

Energy/atom

-18.44418

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.4442

eV/atom

Volume/atom

12.82

Å³

c/a Ratio

0.3041

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

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

Co · 0.444

Element Family

3d-TM

Solute Fraction

0.556

Interstitial Fraction

0.333

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2079

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0422

J/mol·K

Ω Parameter

71.3910

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.398%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3200

smaller = more stable mixing

VEC

7.611

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.198

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8713

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjmt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293127

Reference Citation

The crystal structure and related material properties of Ho5Ta3(Co4P3)4 were obtained from the Materials Project database (MP-ID: mp-3293127, 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_Ho5Ta3(Co4P3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.05721568
_cell_length_b   12.05721534
_cell_length_c   3.66697297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000630
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5Ta3(Co4P3)4
_chemical_formula_sum   'Ho5 Ta3 Co16 P12'
_cell_volume   461.67075014
_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  0.66666700  0.33333300  0.00000000  1.0
  Ho  Ho1  1  0.33333300  0.66666700  0.00000000  1.0
  Ho  Ho2  1  0.81669190  0.81669190  0.50000000  1.0
  Ho  Ho3  1  0.18330810  0.00000000  0.50000000  1.0
  Ho  Ho4  1  0.00000000  0.18330810  0.50000000  1.0
  Ta  Ta5  1  0.44322426  0.44322426  0.00000000  1.0
  Ta  Ta6  1  0.55677574  1.00000000  0.00000000  1.0
  Ta  Ta7  1  1.00000000  0.55677574  0.00000000  1.0
  Co  Co8  1  0.87315425  0.35477212  0.50000000  1.0
  Co  Co9  1  0.64522788  0.51838213  0.50000000  1.0
  Co  Co10  1  0.48161787  0.12684575  0.50000000  1.0
  Co  Co11  1  0.35477212  0.87315425  0.50000000  1.0
  Co  Co12  1  0.51838213  0.64522788  0.50000000  1.0
  Co  Co13  1  0.12684575  0.48161787  0.50000000  1.0
  Co  Co14  1  0.80243280  0.17652637  0.00000000  1.0
  Co  Co15  1  0.82347363  0.62590543  0.00000000  1.0
  Co  Co16  1  0.37409457  0.19756720  0.00000000  1.0
  Co  Co17  1  0.17652637  0.80243280  0.00000000  1.0
  Co  Co18  1  0.62590543  0.82347363  0.00000000  1.0
  Co  Co19  1  0.19756720  0.37409457  0.00000000  1.0
  Co  Co20  1  0.28050042  0.28050042  0.50000000  1.0
  Co  Co21  1  0.71949958  0.00000000  0.50000000  1.0
  Co  Co22  1  0.00000000  0.71949958  0.50000000  1.0
  Co  Co23  1  0.00000000  0.00000000  0.00000000  1.0
  P  P24  1  0.68876401  0.16861093  0.50000000  1.0
  P  P25  1  0.83138907  0.52015209  0.50000000  1.0
  P  P26  1  0.47984791  0.31123599  0.50000000  1.0
  P  P27  1  0.16861093  0.68876401  0.50000000  1.0
  P  P28  1  0.52015209  0.83138907  0.50000000  1.0
  P  P29  1  0.31123599  0.47984791  0.50000000  1.0
  P  P30  1  0.17703626  0.17703626  0.00000000  1.0
  P  P31  1  0.82296374  1.00000000  0.00000000  1.0
  P  P32  1  1.00000000  0.82296374  0.00000000  1.0
  P  P33  1  0.64466069  0.64466069  0.00000000  1.0
  P  P34  1  0.35533931  0.00000000  0.00000000  1.0
  P  P35  1  0.00000000  0.35533931  0.00000000  1.0

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