Ho8Sc12Sn13Au3

高熵材料 HEA

MP-ID: mp-3293309 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho8Sc12Sn13Au3

MP-ID

mp-3293309

Elements

Sites

Density

7.5602

g/cm³

Volume

877.05

Å³

Cell a

7.5176

Cell b

7.9652

Cell c

14.6473

α Angle

90.00

β Angle

90.00

γ Angle

89.58

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
6.03	14.6473	3.7	(0,0,1)
11.11	7.9650	1.0	(0,1,0)
12.65	6.9973	12.2	(0,1,1)
13.24	6.6880	1.5	(1,0,1)
16.15	5.4872	8.4	(1,1,0)
16.27	5.4470	9.3	(1,-1,0)
17.26	5.1385	4.3	(1,1,1)
17.37	5.1054	1.0	(1,-1,1)
20.22	4.3914	12.6	(1,1,2)
20.32	4.3707	13.2	(1,-1,2)
21.35	4.1626	49.8	(0,1,3)
23.67	3.7587	9.3	(2,0,0)
24.31	3.6618	8.0	(0,0,4)
24.40	3.6476	24.8	(1,1,3)
24.48	3.6357	20.6	(1,-1,3)
25.23	3.5299	4.5	(1,2,0)
25.39	3.5085	4.6	(1,-2,0)
25.46	3.4987	4.2	(0,2,2)
26.29	3.3896	1.9	(2,-1,0)
26.66	3.3440	1.7	(2,0,2)
28.89	3.0905	2.7	(2,1,2)
29.03	3.0761	3.4	(2,-1,2)
30.00	2.9784	1.6	(2,0,3)
31.27	2.8606	100.0	(1,2,3)

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Energy Properties

Formation Energy/atom

-0.84730

eV/atom

Energy/atom

-25.10530

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.1053

eV/atom

Volume/atom

24.36

Å³

c/a Ratio

1.9484

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0345

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.361

Element Family

PostTransition-Noble

Solute Fraction

0.639

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2753

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6031

J/mol·K

Ω Parameter

0.6395

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.322%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4098

smaller = more stable mixing

VEC

5.806

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-21.285

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9200

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjtt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293309

Reference Citation

The crystal structure and related material properties of Ho8Sc12Sn13Au3 were obtained from the Materials Project database (MP-ID: mp-3293309, 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_Ho8Sc12Sn13Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51763473
_cell_length_b   7.96520059
_cell_length_c   14.64727237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.57764908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Sc12Sn13Au3
_chemical_formula_sum   'Ho8 Sc12 Sn13 Au3'
_cell_volume   877.04705786
_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  0.99402099  0.18087734  0.09473600  1.0
  Ho  Ho1  1  0.00509701  0.82166115  0.90720508  1.0
  Ho  Ho2  1  0.50758433  0.68180927  0.90672417  1.0
  Ho  Ho3  1  0.00509701  0.82166115  0.59279492  1.0
  Ho  Ho4  1  0.49520954  0.31943732  0.09541142  1.0
  Ho  Ho5  1  0.99402099  0.18087734  0.40526400  1.0
  Ho  Ho6  1  0.49520954  0.31943732  0.40458858  1.0
  Ho  Ho7  1  0.50758433  0.68180927  0.59327583  1.0
  Sc  Sc8  1  0.18021433  0.50219405  0.75000000  1.0
  Sc  Sc9  1  0.81484699  0.50215146  0.25000000  1.0
  Sc  Sc10  1  0.31427256  0.99707529  0.25000000  1.0
  Sc  Sc11  1  0.68247103  0.00217837  0.75000000  1.0
  Sc  Sc12  1  0.32342509  0.16436261  0.62799101  1.0
  Sc  Sc13  1  0.66164437  0.83041475  0.36638223  1.0
  Sc  Sc14  1  0.15815527  0.67177557  0.36666838  1.0
  Sc  Sc15  1  0.66164437  0.83041475  0.13361777  1.0
  Sc  Sc16  1  0.85545359  0.32567911  0.63051462  1.0
  Sc  Sc17  1  0.32342509  0.16436261  0.87200899  1.0
  Sc  Sc18  1  0.85545359  0.32567911  0.86948538  1.0
  Sc  Sc19  1  0.15815527  0.67177557  0.13333162  1.0
  Sn  Sn20  1  0.54084286  0.37336918  0.75000000  1.0
  Sn  Sn21  1  0.30422831  0.85862846  0.75000000  1.0
  Sn  Sn22  1  0.69836852  0.13919521  0.25000000  1.0
  Sn  Sn23  1  0.19604915  0.36290159  0.25000000  1.0
  Sn  Sn24  1  0.81430998  0.64540759  0.75000000  1.0
  Sn  Sn25  1  0.18620570  0.46368131  0.53808758  1.0
  Sn  Sn26  1  0.81343492  0.53888585  0.45957131  1.0
  Sn  Sn27  1  0.31632576  0.96131052  0.45739121  1.0
  Sn  Sn28  1  0.81343492  0.53888585  0.04042869  1.0
  Sn  Sn29  1  0.67980494  0.04021851  0.53994227  1.0
  Sn  Sn30  1  0.18620570  0.46368131  0.96191242  1.0
  Sn  Sn31  1  0.67980494  0.04021851  0.96005773  1.0
  Sn  Sn32  1  0.31632576  0.96131052  0.04260879  1.0
  Au  Au33  1  0.03575942  0.11768008  0.75000000  1.0
  Au  Au34  1  0.96249644  0.87992203  0.25000000  1.0
  Au  Au35  1  0.46341738  0.61906909  0.25000000  1.0

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