Ho12ReTc3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292991 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho12ReTc3

MP-ID

mp-3292991

Elements

Sites

Density

9.8269

g/cm³

Volume

415.58

Å³

Cell a

6.1710

Cell b

7.4425

Cell c

9.0487

α Angle

90.00

β Angle

90.00

γ Angle

89.97

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
9.77	9.0487	3.0	(0,0,1)
11.89	7.4425	1.9	(0,1,0)
14.35	6.1710	1.4	(1,0,0)
15.42	5.7480	2.3	(0,1,1)
17.39	5.0983	3.6	(1,0,1)
18.67	4.7518	6.4	(1,1,0)
18.68	4.7490	7.9	(1,-1,0)
19.62	4.5243	5.7	(0,0,2)
21.12	4.2070	7.3	(1,1,1)
21.13	4.2051	5.6	(1,-1,1)
23.91	3.7212	1.9	(0,2,0)
25.89	3.4416	7.2	(0,2,1)
27.22	3.2767	10.8	(1,1,2)
27.22	3.2757	8.1	(1,-1,2)
27.99	3.1875	11.4	(1,2,0)
28.01	3.1858	10.8	(1,-2,0)
29.72	3.0065	22.1	(1,2,1)
29.73	3.0050	36.9	(1,-2,1)
31.12	2.8740	84.9	(0,2,2)
31.38	2.8509	41.3	(2,1,0)
31.39	2.8496	33.0	(2,-1,0)
32.94	2.7191	63.7	(2,1,1)
32.95	2.7181	54.9	(2,-1,1)
33.06	2.7099	100.0	(1,0,3)

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Energy Properties

Formation Energy/atom

-0.09914

eV/atom

Energy/atom

-32.90418

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.9042

eV/atom

Volume/atom

25.97

Å³

c/a Ratio

1.4663

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0450

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000110

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.750

Element Family

Lanthanide

Solute Fraction

0.250

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7029

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.8441

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.362%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2901

smaller = more stable mixing

VEC

9.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6398

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.615

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.750

Related Tasks

Related computation task IDs (1)

aaahfjhn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292991

Reference Citation

The crystal structure and related material properties of Ho12ReTc3 were obtained from the Materials Project database (MP-ID: mp-3292991, 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_Ho12ReTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17098612
_cell_length_b   7.44246078
_cell_length_c   9.04868674
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96526932
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho12ReTc3
_chemical_formula_sum   'Ho12 Re1 Tc3'
_cell_volume   415.58187469
_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  0.34504746  0.67442742  0.06301008  1.0
  Ho  Ho1  1  0.15601379  0.17463324  0.43576021  1.0
  Ho  Ho2  1  0.65599791  0.32476422  0.56362337  1.0
  Ho  Ho3  1  0.84315708  0.82507503  0.93563390  1.0
  Ho  Ho4  1  0.65599791  0.32476422  0.93637663  1.0
  Ho  Ho5  1  0.84315708  0.82507503  0.56436610  1.0
  Ho  Ho6  1  0.34504746  0.67442742  0.43698992  1.0
  Ho  Ho7  1  0.15601379  0.17463324  0.06423979  1.0
  Ho  Ho8  1  0.87298572  0.54406416  0.25000000  1.0
  Ho  Ho9  1  0.62730786  0.04384738  0.25000000  1.0
  Ho  Ho10  1  0.12506332  0.45685850  0.75000000  1.0
  Ho  Ho11  1  0.37276475  0.95761756  0.75000000  1.0
  Re  Re12  1  0.54505952  0.61582612  0.75000000  1.0
  Tc  Tc13  1  0.04146335  0.88390994  0.25000000  1.0
  Tc  Tc14  1  0.45763786  0.38390042  0.25000000  1.0
  Tc  Tc15  1  0.95728614  0.11617610  0.75000000  1.0

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