Ho8Sc12Sn15Au

高熵材料 HEA

MP-ID: mp-3293783 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho8Sc12Sn15Au

MP-ID

mp-3293783

Elements

Sites

Density

7.1513

g/cm³

Volume

890.85

Å³

Cell a

7.6241

Cell b

7.8871

Cell c

14.8149

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
5.97	14.8149	3.8	(0,0,1)
12.72	6.9620	26.4	(0,1,1)
13.06	6.7791	1.6	(1,0,1)
16.16	5.4833	4.9	(1,1,0)
16.17	5.4801	5.9	(1,-1,0)
16.69	5.3128	1.0	(1,0,2)
17.24	5.1424	3.1	(1,1,1)
17.25	5.1397	1.2	(1,-1,1)
20.15	4.4072	6.6	(1,1,2)
20.16	4.4055	6.3	(1,-1,2)
21.23	4.1856	40.0	(0,1,3)
23.34	3.8120	6.7	(2,0,0)
24.03	3.7037	4.2	(0,0,4)
24.26	3.6695	25.1	(1,1,3)
24.26	3.6685	19.7	(1,-1,3)
25.42	3.5036	5.7	(1,2,0)
25.43	3.5019	6.8	(1,-2,0)
25.59	3.4810	6.4	(0,2,2)
25.97	3.4314	1.4	(2,-1,0)
26.29	3.3895	1.1	(2,0,2)
26.67	3.3429	1.9	(2,-1,1)
28.19	3.1659	1.0	(1,-2,2)
28.66	3.1147	4.5	(2,1,2)
28.67	3.1136	5.5	(2,-1,2)

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Energy Properties

Formation Energy/atom

-0.83124

eV/atom

Energy/atom

-23.65375

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.6538

eV/atom

Volume/atom

24.75

Å³

c/a Ratio

1.9432

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0666

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.417

Element Family

PostTransition-Noble

Solute Fraction

0.583

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1648

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6839

J/mol·K

Ω Parameter

0.6794

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.007%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3577

smaller = more stable mixing

VEC

5.417

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.639

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8402

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfklz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293783

Reference Citation

The crystal structure and related material properties of Ho8Sc12Sn15Au were obtained from the Materials Project database (MP-ID: mp-3293783, 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_Ho8Sc12Sn15Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62407130
_cell_length_b   7.88713439
_cell_length_c   14.81491555
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96654256
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Sc12Sn15Au
_chemical_formula_sum   'Ho8 Sc12 Sn15 Au1'
_cell_volume   890.85146071
_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  0.98831877  0.18019005  0.09392975  1.0
  Ho  Ho1  1  0.00836453  0.82070131  0.90505486  1.0
  Ho  Ho2  1  0.51090866  0.67803998  0.90334007  1.0
  Ho  Ho3  1  0.00836453  0.82070131  0.59494514  1.0
  Ho  Ho4  1  0.48863245  0.32370032  0.09427014  1.0
  Ho  Ho5  1  0.98831877  0.18019005  0.40607025  1.0
  Ho  Ho6  1  0.48863245  0.32370032  0.40572986  1.0
  Ho  Ho7  1  0.51090866  0.67803998  0.59665993  1.0
  Sc  Sc8  1  0.18318320  0.49527139  0.75000000  1.0
  Sc  Sc9  1  0.82107518  0.50353222  0.25000000  1.0
  Sc  Sc10  1  0.32185564  0.99565248  0.25000000  1.0
  Sc  Sc11  1  0.68848778  0.00743427  0.75000000  1.0
  Sc  Sc12  1  0.33218555  0.16427256  0.62838509  1.0
  Sc  Sc13  1  0.65375727  0.83725778  0.37356703  1.0
  Sc  Sc14  1  0.15182770  0.66199236  0.37494236  1.0
  Sc  Sc15  1  0.65375727  0.83725778  0.12643297  1.0
  Sc  Sc16  1  0.85916667  0.32960210  0.62891715  1.0
  Sc  Sc17  1  0.33218555  0.16427256  0.87161491  1.0
  Sc  Sc18  1  0.85916667  0.32960210  0.87108285  1.0
  Sc  Sc19  1  0.15182770  0.66199236  0.12505764  1.0
  Sn  Sn20  1  0.96025706  0.87574338  0.25000000  1.0
  Sn  Sn21  1  0.45616314  0.62636229  0.25000000  1.0
  Sn  Sn22  1  0.54891255  0.37263776  0.75000000  1.0
  Sn  Sn23  1  0.30719372  0.85814765  0.75000000  1.0
  Sn  Sn24  1  0.68196557  0.15089830  0.25000000  1.0
  Sn  Sn25  1  0.18097632  0.35124508  0.25000000  1.0
  Sn  Sn26  1  0.81775752  0.64559942  0.75000000  1.0
  Sn  Sn27  1  0.19262973  0.46031923  0.54163526  1.0
  Sn  Sn28  1  0.80920171  0.54226649  0.46017084  1.0
  Sn  Sn29  1  0.31517572  0.95954338  0.45959429  1.0
  Sn  Sn30  1  0.80920171  0.54226649  0.03982916  1.0
  Sn  Sn31  1  0.68494652  0.04100866  0.54271764  1.0
  Sn  Sn32  1  0.19262973  0.46031923  0.95836474  1.0
  Sn  Sn33  1  0.68494652  0.04100866  0.95728236  1.0
  Sn  Sn34  1  0.31517572  0.95954338  0.04040571  1.0
  Au  Au35  1  0.04194268  0.11968634  0.75000000  1.0

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