Ho6Mn5(AlPt8)2

高熵材料 HEA

MP-ID: mp-3293738 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ho6Mn5(AlPt8)2

MP-ID

mp-3293738

Elements

Sites

Density

14.6747

g/cm³

Volume

502.37

Å³

Cell a

8.9409

Cell b

8.9187

Cell c

8.9187

α Angle

60.03

β Angle

59.92

γ Angle

59.92

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
12.14	7.2905	5.6	(1,0,0)
12.14	7.2905	5.6	(1,1,1)
12.16	7.2807	8.5	(0,1,0)
12.16	7.2807	8.5	(0,0,1)
14.02	6.3157	23.6	(1,1,0)
14.06	6.2972	13.8	(0,1,1)
24.42	3.6453	18.4	(2,0,0)
24.42	3.6453	18.4	(2,2,2)
24.45	3.6404	18.0	(0,2,0)
24.45	3.6403	18.0	(0,0,2)
28.26	3.1579	81.2	(2,2,0)
28.35	3.1486	43.7	(0,2,2)
31.65	2.8268	8.1	(3,2,1)
31.70	2.8228	2.6	(2,-1,1)
31.70	2.8228	2.6	(2,1,-1)
31.70	2.8228	2.6	(2,3,1)
31.70	2.8228	2.6	(2,1,3)
31.71	2.8222	3.9	(1,-1,2)
31.71	2.8222	3.9	(1,2,-1)
31.76	2.8178	4.6	(1,-2,-1)
31.76	2.8178	4.6	(1,-1,-2)
31.76	2.8178	4.6	(1,3,2)
31.76	2.8178	4.6	(1,2,3)
34.79	2.5789	6.6	(3,0,1)

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Energy Properties

Formation Energy/atom

-1.06589

eV/atom

Energy/atom

-39.27183

eV/atom

Energy above Hull

0.0546

eV/atom

Uncorrected Energy

-39.2718

eV/atom

Volume/atom

17.32

Å³

c/a Ratio

0.9975

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

15.5917

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.031040

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.552

Element Family

5d-TM

Solute Fraction

0.448

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1416

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.4912

J/mol·K

Ω Parameter

0.8423

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.192%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4465

smaller = more stable mixing

VEC

9.207

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-20.408

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8235

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkkg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293738

Reference Citation

The crystal structure and related material properties of Ho6Mn5(AlPt8)2 were obtained from the Materials Project database (MP-ID: mp-3293738, 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…

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Raw CIF Data

# generated using pymatgen
data_Ho6Mn5(AlPt8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94086673
_cell_length_b   8.91867174
_cell_length_c   8.91866295
_cell_angle_alpha   60.03023117
_cell_angle_beta   59.91771805
_cell_angle_gamma   59.91775462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho6Mn5(AlPt8)2
_chemical_formula_sum   'Ho6 Mn5 Al2 Pt16'
_cell_volume   502.36838921
_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  0.71099369  0.28900821  0.28900721  1.0
  Ho  Ho1  1  0.70899605  0.28898310  0.71101686  1.0
  Ho  Ho2  1  0.70899605  0.71101686  0.28898210  1.0
  Ho  Ho3  1  0.28900631  0.71099179  0.71099279  1.0
  Ho  Ho4  1  0.29100395  0.71101690  0.28898314  1.0
  Ho  Ho5  1  0.29100395  0.28898314  0.71101790  1.0
  Mn  Mn6  1  0.50000000  0.00000000  0.00000000  1.0
  Mn  Mn7  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn8  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn9  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn10  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al11  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al12  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt13  1  0.64476934  0.11883396  0.11883596  1.0
  Pt  Pt14  1  0.11723154  0.64593347  0.11960588  1.0
  Pt  Pt15  1  0.11723254  0.11960588  0.64593247  1.0
  Pt  Pt16  1  0.11755918  0.11883501  0.11883601  1.0
  Pt  Pt17  1  0.35523066  0.88116604  0.88116404  1.0
  Pt  Pt18  1  0.88276846  0.35406653  0.88039412  1.0
  Pt  Pt19  1  0.88276746  0.88039412  0.35406753  1.0
  Pt  Pt20  1  0.88244082  0.88116499  0.88116399  1.0
  Pt  Pt21  1  0.99013857  0.33919438  0.33919438  1.0
  Pt  Pt22  1  0.33646671  0.99029345  0.33677380  1.0
  Pt  Pt23  1  0.33646571  0.33677280  0.99029645  1.0
  Pt  Pt24  1  0.33147800  0.33919840  0.33919940  1.0
  Pt  Pt25  1  0.00986143  0.66080562  0.66080562  1.0
  Pt  Pt26  1  0.66353329  0.00970655  0.66322620  1.0
  Pt  Pt27  1  0.66353429  0.66322720  0.00970355  1.0
  Pt  Pt28  1  0.66852200  0.66080160  0.66080060  1.0

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