HoTm5(ScAu5)2

High-Entropy Materials HEA

MP-ID: mp-3294151 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

HoTm5(ScAu5)2

MP-ID

mp-3294151

Elements

Sites

Density

13.4932

g/cm³

Volume

377.71

Å³

Cell a

7.7582

Cell b

7.7494

Cell c

7.7600

α Angle

66.80

β Angle

66.74

γ Angle

66.69

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
14.79	5.9903	4.8	(1,1,1)
23.16	3.8404	2.4	(1,1,2)
23.16	3.8402	2.4	(2,1,1)
23.19	3.8361	2.4	(1,2,1)
24.58	3.6222	5.4	(1,1,-1)
24.60	3.6189	5.3	(1,-1,1)
24.62	3.6162	5.4	(1,-1,-1)
25.61	3.4781	6.4	(1,0,2)
25.62	3.4767	6.6	(2,1,0)
25.63	3.4753	1.5	(2,0,1)
25.63	3.4751	1.4	(0,1,2)
25.64	3.4749	1.5	(1,2,0)
25.67	3.4705	6.7	(0,2,1)
26.05	3.4203	2.4	(0,0,2)
26.08	3.4167	2.3	(2,0,0)
26.10	3.4144	2.4	(0,2,0)
27.58	3.2337	2.0	(2,1,2)
27.60	3.2324	2.0	(2,2,1)
27.61	3.2304	2.0	(1,2,2)
29.83	2.9952	27.8	(2,2,2)
31.33	2.8551	7.3	(2,0,2)
31.33	2.8550	7.2	(2,2,0)
31.38	2.8511	6.9	(0,2,2)
32.41	2.7625	3.8	(0,1,-2)

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Energy Properties

Formation Energy/atom

-0.97029

eV/atom

Energy/atom

-41.92213

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.9221

eV/atom

Volume/atom

20.98

Å³

c/a Ratio

1.0002

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0011

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

Au · 0.556

Element Family

5d-TM

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0871

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0379

J/mol·K

Ω Parameter

0.9150

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.141%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6294

smaller = more stable mixing

VEC

10.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.268

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7842

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflad

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294151

Reference Citation

The crystal structure and related material properties of HoTm5(ScAu5)2 were obtained from the Materials Project database (MP-ID: mp-3294151, 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_HoTm5(ScAu5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75818678
_cell_length_b   7.74940018
_cell_length_c   7.75997340
_cell_angle_alpha   66.80309041
_cell_angle_beta   66.74109306
_cell_angle_gamma   66.69267401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTm5(ScAu5)2
_chemical_formula_sum   'Ho1 Tm5 Sc2 Au10'
_cell_volume   377.70965636
_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  0.80902331  0.38113857  0.10695838  1.0
  Tm  Tm1  1  0.89301564  0.19174544  0.61815310  1.0
  Tm  Tm2  1  0.61806612  0.89301212  0.19144207  1.0
  Tm  Tm3  1  0.19135425  0.61751350  0.89189657  1.0
  Tm  Tm4  1  0.10693197  0.80963363  0.38289267  1.0
  Tm  Tm5  1  0.38124141  0.10785002  0.80878738  1.0
  Sc  Sc6  1  0.66068378  0.66090022  0.66071473  1.0
  Sc  Sc7  1  0.33939432  0.33931552  0.33909877  1.0
  Au  Au8  1  0.00202640  0.99626085  0.99938002  1.0
  Au  Au9  1  0.49892595  0.50074871  0.50045806  1.0
  Au  Au10  1  0.81009117  0.81188069  0.81092598  1.0
  Au  Au11  1  0.19132824  0.18783991  0.18961547  1.0
  Au  Au12  1  0.93627243  0.54966588  0.31676523  1.0
  Au  Au13  1  0.31672460  0.93498249  0.54971915  1.0
  Au  Au14  1  0.54844907  0.31683710  0.93423935  1.0
  Au  Au15  1  0.06520634  0.45200072  0.68141727  1.0
  Au  Au16  1  0.68250913  0.06341580  0.45291504  1.0
  Au  Au17  1  0.44875588  0.68525983  0.06461875  1.0

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