Hf5Re17Tc7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292887 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Hf5Re17Tc7

MP-ID

mp-3292887

Elements

Sites

Density

17.2151

g/cm³

Volume

457.59

Å³

Cell a

8.4178

Cell b

8.4178

Cell c

8.4052

α Angle

109.48

β Angle

109.48

γ Angle

109.61

Space Group

Point Group

Crystal System

Monoclinic

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
12.87	6.8790	1.8	(1,-1,0)
12.89	6.8683	3.4	(1,0,-1)
12.90	6.8602	3.5	(1,0,0)
12.91	6.8555	1.6	(0,0,1)
18.29	4.8516	5.5	(1,1,-1)
22.40	3.9695	2.8	(2,-1,-1)
22.41	3.9679	4.8	(2,-1,0)
22.42	3.9648	9.3	(2,0,-1)
22.43	3.9634	2.8	(1,1,-2)
22.44	3.9620	6.1	(1,0,-2)
22.47	3.9574	3.4	(1,0,1)
25.98	3.4301	2.2	(2,0,0)
29.05	3.0743	3.4	(2,-2,1)
29.07	3.0719	1.4	(2,-1,-2)
29.09	3.0698	1.8	(2,1,-2)
29.09	3.0698	2.6	(2,-1,1)
31.89	2.8059	4.2	(3,-1,-1)
31.94	2.8017	4.9	(1,1,-3)
31.99	2.7973	6.1	(1,1,1)
34.50	2.5994	2.8	(3,-2,-1)
34.51	2.5990	3.5	(3,-2,0)
34.53	2.5977	1.1	(1,-3,2)
34.53	2.5977	1.1	(3,-1,-2)
34.55	2.5960	1.8	(3,0,-2)

Get direct link

Energy Properties

Formation Energy/atom

-0.31599

eV/atom

Energy/atom

-45.09151

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-45.0915

eV/atom

Volume/atom

15.78

Å³

c/a Ratio

0.9985

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0132

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Re · 0.586

Element Family

5d-TM

Solute Fraction

0.414

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9593

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9752

J/mol·K

Ω Parameter

1.4499

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.108%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2266

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-16.756

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8732

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.520

Family

Re-rich Multi-Component

Matrix Element

Re · 0.586

Related Tasks

Related computation task IDs (1)

aaahfjdn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292887

Reference Citation

The crystal structure and related material properties of Hf5Re17Tc7 were obtained from the Materials Project database (MP-ID: mp-3292887, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Hf5Re17Tc7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41775218
_cell_length_b   8.41775217
_cell_length_c   8.40519542
_cell_angle_alpha   109.47949279
_cell_angle_beta   109.47948984
_cell_angle_gamma   109.61031847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Re17Tc7
_chemical_formula_sum   'Hf5 Re17 Tc7'
_cell_volume   457.59432085
_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
  Hf  Hf0  1  0.99901100  0.99901100  0.99945397  1.0
  Hf  Hf1  1  0.62497326  0.99953137  0.99953593  1.0
  Hf  Hf2  1  0.99953137  0.62497326  0.99953593  1.0
  Hf  Hf3  1  0.00155960  0.00155960  0.62759590  1.0
  Hf  Hf4  1  0.37261826  0.37261826  0.37325142  1.0
  Re  Re5  1  0.00121864  0.67648975  0.39595955  1.0
  Re  Re6  1  0.67648975  0.00121864  0.39595955  1.0
  Re  Re7  1  0.60353601  0.60353601  0.27859977  1.0
  Re  Re8  1  0.27943426  0.60534022  0.60440888  1.0
  Re  Re9  1  0.60534022  0.27943426  0.60440888  1.0
  Re  Re10  1  0.37669993  0.19524598  0.00103174  1.0
  Re  Re11  1  0.17951157  0.80602335  0.80518707  1.0
  Re  Re12  1  0.37471599  0.00078843  0.19446416  1.0
  Re  Re13  1  0.19524598  0.37669993  0.00103174  1.0
  Re  Re14  1  0.00078843  0.37471599  0.19446416  1.0
  Re  Re15  1  0.80602335  0.17951157  0.80518707  1.0
  Re  Re16  1  0.80563626  0.80563626  0.18034986  1.0
  Re  Re17  1  0.00095401  0.19413630  0.37720333  1.0
  Re  Re18  1  0.19413630  0.00095401  0.37720333  1.0
  Re  Re19  1  0.62281849  0.62281849  0.81656774  1.0
  Re  Re20  1  0.81613194  0.62297536  0.62233872  1.0
  Re  Re21  1  0.62297536  0.81613194  0.62233872  1.0
  Tc  Tc22  1  0.39603003  0.67832362  0.00078390  1.0
  Tc  Tc23  1  0.71996359  0.32291602  0.32222201  1.0
  Tc  Tc24  1  0.39748192  0.00242987  0.67873150  1.0
  Tc  Tc25  1  0.67832362  0.39603003  0.00078390  1.0
  Tc  Tc26  1  0.00242987  0.39748192  0.67873150  1.0
  Tc  Tc27  1  0.32291602  0.71996359  0.32222201  1.0
  Tc  Tc28  1  0.32350397  0.32350397  0.72044876  1.0

Get direct link