Ho8Ta11ReSi16

High-Entropy Materials HEA

MP-ID: mp-3294263 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Ho8Ta11ReSi16

MP-ID

mp-3294263

Elements

Sites

Density

10.4340

g/cm³

Volume

627.91

Å³

Cell a

6.9703

Cell b

6.9710

Cell c

12.9227

α Angle

90.05

β Angle

89.83

γ Angle

89.95

Space Group

Point Group

Crystal System

Triclinic

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
14.42	6.1425	7.2	(1,0,1)
14.43	6.1375	7.2	(0,1,-1)
14.44	6.1330	7.4	(0,1,1)
14.46	6.1270	7.4	(1,0,-1)
17.99	4.9312	8.7	(1,1,0)
18.00	4.9268	8.3	(1,-1,0)
18.70	4.7457	1.4	(1,0,2)
18.72	4.7409	1.2	(0,1,-2)
18.73	4.7367	1.0	(0,1,2)
22.67	3.9230	11.4	(1,-1,2)
22.67	3.9229	11.2	(1,1,2)
22.70	3.9171	12.2	(1,1,-2)
22.73	3.9126	12.4	(1,-1,-2)
25.56	3.4855	5.7	(0,2,0)
25.56	3.4851	6.3	(2,0,0)
26.47	3.3675	15.8	(2,0,1)
26.48	3.3660	16.8	(0,2,-1)
26.49	3.3645	16.2	(0,2,1)
26.51	3.3623	16.6	(2,0,-1)
27.47	3.2473	50.3	(1,-1,3)
27.47	3.2466	50.3	(1,1,3)
27.52	3.2417	52.0	(1,1,-3)
27.54	3.2384	51.8	(1,-1,-3)
27.61	3.2307	1.2	(0,0,4)

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Energy Properties

Formation Energy/atom

-0.79761

eV/atom

Energy/atom

-28.30738

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.3074

eV/atom

Volume/atom

17.44

Å³

c/a Ratio

1.8540

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0044

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.444

Element Family

Metalloid-Nonmetal

Solute Fraction

0.556

Interstitial Fraction

0.444

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1565

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6149

J/mol·K

Ω Parameter

0.7899

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.340%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2741

smaller = more stable mixing

VEC

5.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-27.224

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8342

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflel

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294263

Reference Citation

The crystal structure and related material properties of Ho8Ta11ReSi16 were obtained from the Materials Project database (MP-ID: mp-3294263, 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_Ho8Ta11ReSi16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97027969
_cell_length_b   6.97102287
_cell_length_c   12.92265065
_cell_angle_alpha   90.05026319
_cell_angle_beta   89.82656919
_cell_angle_gamma   89.94856048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Ta11ReSi16
_chemical_formula_sum   'Ho8 Ta11 Re1 Si16'
_cell_volume   627.90795285
_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  0.33921650  0.00019181  0.47014671  1.0
  Ho  Ho1  1  0.50060530  0.83971842  0.71777686  1.0
  Ho  Ho2  1  0.50149953  0.16104968  0.21830731  1.0
  Ho  Ho3  1  0.83995633  0.50007448  0.28315255  1.0
  Ho  Ho4  1  0.15961650  0.50097530  0.78043128  1.0
  Ho  Ho5  1  0.66167625  0.99937075  0.96671201  1.0
  Ho  Ho6  1  0.00037529  0.33903932  0.53177657  1.0
  Ho  Ho7  1  0.00022380  0.66067151  0.03150559  1.0
  Ta  Ta8  1  0.33003537  0.32993479  0.00002108  1.0
  Ta  Ta9  1  0.17119817  0.83008206  0.25078908  1.0
  Ta  Ta10  1  0.83048167  0.17063443  0.74968931  1.0
  Ta  Ta11  1  0.66841361  0.67142800  0.50015326  1.0
  Ta  Ta12  1  0.15364159  0.00683643  0.87388068  1.0
  Ta  Ta13  1  0.49243153  0.65404896  0.12380589  1.0
  Ta  Ta14  1  0.50685371  0.34528398  0.62371120  1.0
  Ta  Ta15  1  0.65626397  0.49367084  0.87450388  1.0
  Ta  Ta16  1  0.34354857  0.51075918  0.37764948  1.0
  Ta  Ta17  1  0.84618883  0.99381174  0.37361339  1.0
  Ta  Ta18  1  0.00825421  0.15394076  0.12616305  1.0
  Re  Re19  1  0.99276541  0.84149922  0.62647592  1.0
  Si  Si20  1  0.19968632  0.12736153  0.68191471  1.0
  Si  Si21  1  0.36669760  0.70373435  0.93121463  1.0
  Si  Si22  1  0.63122423  0.29470308  0.43263705  1.0
  Si  Si23  1  0.70560721  0.36711411  0.06748645  1.0
  Si  Si24  1  0.29041982  0.63317585  0.56968039  1.0
  Si  Si25  1  0.79574026  0.86643356  0.18197440  1.0
  Si  Si26  1  0.13461585  0.20484915  0.31873567  1.0
  Si  Si27  1  0.86870610  0.79685811  0.81559373  1.0
  Si  Si28  1  0.29655943  0.95620676  0.06309615  1.0
  Si  Si29  1  0.54432819  0.79564603  0.31325373  1.0
  Si  Si30  1  0.45554912  0.20573940  0.81269894  1.0
  Si  Si31  1  0.79473820  0.54680915  0.68524885  1.0
  Si  Si32  1  0.20468178  0.45613512  0.18711254  1.0
  Si  Si33  1  0.71063643  0.04007056  0.56316311  1.0
  Si  Si34  1  0.95668166  0.29539362  0.93678634  1.0
  Si  Si35  1  0.04088468  0.70674997  0.43913721  1.0

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